{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.98276 7.447886 7.116392 6.875544 6.686267 6.530324 6.397713 6.282353 6.180268 6.088716 6.005724 5.929829 5.85991 5.795097 5.734692 5.678136 5.624965 5.574799 5.527315 5.482241 5.439345 5.398425 5.359307 5.32184 5.283962 5.244929 5.204668 5.163098 5.120133 5.075675 5.029616 4.981838 4.932206 4.880571 4.826765 4.770596 4.711849 4.650274 4.585586 4.517452 4.445486 4.36923 4.28814 4.201562 4.108698 4.008564 3.899924 3.781198 3.650319 3.504512 3.339929 3.151009 2.929285 2.66092 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.98276e-10 7.447885999999999e-10 7.116392000000001e-10 6.875544e-10 6.686267e-10 6.530324e-10 6.397713000000001e-10 6.282352999999999e-10 6.180268e-10 6.088716e-10 6.005724e-10 5.929829e-10 5.859910000000001e-10 5.795097e-10 5.734692e-10 5.678136e-10 5.624965000000001e-10 5.574799e-10 5.527315e-10 5.482241000000001e-10 5.439345000000001e-10 5.398424999999999e-10 5.359307e-10 5.32184e-10 5.283962e-10 5.244929e-10 5.204668e-10 5.163098e-10 5.120133e-10 5.075675000000001e-10 5.029616e-10 4.981838e-10 4.932206e-10 4.880571e-10 4.826765000000001e-10 4.770596000000001e-10 4.711849e-10 4.650274e-10 4.5855860000000004e-10 4.517452e-10 4.445486e-10 4.36923e-10 4.28814e-10 4.201562e-10 4.1086980000000004e-10 4.008564e-10 3.899924e-10 3.781198e-10 3.650319e-10 3.5045120000000004e-10 3.3399290000000005e-10 3.151009e-10 2.9292850000000003e-10 2.66092e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.81307 2.0519 2.24279 2.39985 2.53198 2.64482 2.74219 2.82677 2.90059 2.96515 3.02165 3.07107 3.11417 3.15161 3.18393 3.21159 3.235 3.25449 3.27037 3.2829 3.29231 3.29881 3.30259 3.30382 3.30251 3.2983 3.29069 3.27912 3.26292 3.24128 3.21325 3.17768 3.13319 3.07811 3.01039 2.92754 2.82644 2.70323 2.55303 2.36962 2.14465 1.86644 1.51811 1.07454 0.496938 -0.276908 -1.35112 -2.90835 -5.2867 -9.15084 -15.9012 -28.7281 -55.5272 -117.023 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.9048583898063796e-19 3.2875062353045995e-19 3.5933457329688596e-19 3.8449835951048995e-19 4.0566791937553194e-19 4.23746880513588e-19 4.39347274398846e-19 4.528984843692179e-19 4.647257522814059e-19 4.7506940463051e-19 4.8412170261261e-19 4.92039659537838e-19 4.98945040830378e-19 5.04943590148074e-19 5.10121825029162e-19 5.14553445598806e-19 5.18304141099e-19 5.21426783358666e-19 5.23971039853458e-19 5.2597856717586e-19 5.27486215388454e-19 5.28527630200554e-19 5.291332529682059e-19 5.29330320694188e-19 5.291204355551339e-19 5.284459191922199e-19 5.272266627737459e-19 5.253729444082079e-19 5.227774182611279e-19 5.19310308025152e-19 5.1481940692005e-19 5.091204646329119e-19 5.01992380788246e-19 4.931675918881739e-19 4.823176517227259e-19 4.69043618310036e-19 4.52845612540296e-19 4.33105194232782e-19 4.09040501190102e-19 3.7965497954590793e-19 3.4361081181081e-19 2.99036655676296e-19 2.43228036984174e-19 1.72160288029836e-19 7.96182452146692e-20 -4.4365552736767195e-20 -2.16473289373008e-19 -4.659690413493899e-19 -8.470227210967799e-19 -1.466126202947256e-18 -2.5476531092560796e-18 -4.60274905592154e-18 -8.896438239144479e-18 -1.8749151624058198e-17 ] } }