{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 6.81678 6.360031 6.076955 5.871286 5.709655 5.57649 5.463249 5.364738 5.277564 5.199384 5.128514 5.063704 5.003999 4.948652 4.89707 4.848774 4.80337 4.760531 4.719983 4.681493 4.644862 4.609919 4.576515 4.54452 4.522739 4.499815 4.475622 4.450011 4.422806 4.393794 4.362719 4.329264 4.293035 4.253529 4.210095 4.161863 4.107641 4.045727 3.973572 3.887105 3.779205 3.63562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.81678e-10 6.360031e-10 6.076955e-10 5.871286e-10 5.709655e-10 5.57649e-10 5.463249e-10 5.364738e-10 5.277564e-10 5.199384000000001e-10 5.128514e-10 5.063704000000001e-10 5.003999e-10 4.948652e-10 4.89707e-10 4.848774e-10 4.80337e-10 4.760531000000001e-10 4.719983e-10 4.681493e-10 4.644862e-10 4.6099189999999996e-10 4.576515e-10 4.5445200000000003e-10 4.522739e-10 4.499815e-10 4.475622000000001e-10 4.450011e-10 4.422806e-10 4.393794e-10 4.362719e-10 4.329264e-10 4.293035e-10 4.2535290000000003e-10 4.210095e-10 4.1618630000000005e-10 4.107641e-10 4.0457270000000006e-10 3.973572e-10 3.887105e-10 3.7792050000000003e-10 3.63562e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.45324 2.67001 3.43434 3.94172 4.31784 4.62177 4.88399 5.11947 5.33394 5.52828 5.70156 5.85275 5.98139 6.08784 6.17347 6.24161 6.29584 6.33859 6.37173 6.39692 6.41552 6.42843 6.43614 6.43878 6.43735 6.43222 6.4219 6.40478 6.37933 6.3438 6.29602 6.23324 6.15194 6.04763 5.91451 5.74425 5.52251 5.22372 4.80031 4.15722 3.08686 0.989936 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.328347152411392e-19 4.2778275993022084e-19 5.502419255878273e-19 6.315331629739777e-19 6.917942300355073e-19 7.404891840714816e-19 7.825014594220992e-19 8.202295144886976e-19 8.545913964749953e-19 8.857280969236224e-19 9.134906134088449e-19 9.377139217387202e-19 9.583243217886913e-19 9.753794919171072e-19 9.890989303210176e-19 1.0000161618151488e-18 1.0087047656297472e-18 1.0155540706836673e-18 1.0208636840049986e-18 1.0248995669127937e-18 1.0278796154274817e-18 1.0299480254449345e-18 1.0311833036195712e-18 1.0316062782474625e-18 1.031377166990688e-18 1.0305552503842176e-18 1.028901804111552e-18 1.0261588777367424e-18 1.0220813382368065e-18 1.0163888047031041e-18 1.0087336048089218e-18 9.986751399835392e-19 9.856494440564352e-19 9.689371397248704e-19 9.47608964548781e-19 9.2033030540304e-19 8.848036410134208e-19 8.369322057605376e-19 7.690944454592448e-19 6.660600691522176e-19 4.945694923682689e-19 1.586052315288269e-19 ] } }