{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2155062 0.7824176 -0.5634234 ] [ 1.2548334 0.1432589 -0.3283725 ] [ -0.4404715 0.6705578 0.7095718 ] [ -0.3645896 -1.4957029 0.7340812 ] [ 0.1270877 0.0446029 0.3242329 ] [ 0.0267286 0.625506 -1.5841749 ] [ -0.8190948 -0.7706403 0.7080849 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.452789981221308e-10 1.253571196750358e-09 -9.027038065288355e-10 ] [ 2.010464753042776e-09 2.295260621925426e-10 -5.26110746748165e-10 ] [ -7.057131452429309e-10 1.074352038906445e-09 1.136859358105321e-09 ] [ -5.841369381194064e-10 -2.396380237786038e-09 1.176127746098681e-09 ] [ 2.036169434088018e-10 7.14617241886386e-11 5.194783763540585e-10 ] [ 4.28239383795324e-11 1.002171097626804e-09 -2.538128008949286e-09 ] [ -1.312334549590903e-09 -1.23470188187875e-09 1.134477081668226e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.676831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.152575885936685e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2736468 1.5025811 4.0172462 ] [ 2.2222834 5.0880383 2.6192393 ] [ 2.7496469 3.2663813 1.1768993 ] [ 0.9597718 3.0754675 2.7997554 ] [ 4.0174688 1.6885927 2.4361493 ] [ 4.3066971 3.9915451 2.9795371 ] [ 2.5168122 3.8006309 4.6023682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2736468e-10 1.5025811e-10 4.0172462e-10 ] [ 2.2222834e-10 5.0880383e-10 2.6192393e-10 ] [ 2.7496469e-10 3.2663813e-10 1.1768993e-10 ] [ 9.597718e-11 3.0754675e-10 2.7997554e-10 ] [ 4.0174688e-10 1.6885927e-10 2.4361493e-10 ] [ 4.3066971e-10 3.9915451e-10 2.9795371e-10 ] [ 2.5168122e-10 3.8006309e-10 4.6023682e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-06 2.23e-05 -1.17e-05 ] [ -3.55e-05 -8.9e-06 3.31e-05 ] [ 2.3e-06 -6.1e-06 6.01e-05 ] [ 3.6e-05 1.16e-05 -7.9e-06 ] [ -1.76e-05 2.02e-05 2.51e-05 ] [ 2.67e-05 -1.41e-05 -3.44e-05 ] [ -6.1e-06 -2.51e-05 -6.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.613059803999999e-15 3.572853893819999e-14 -1.87454666178e-14 ] [ -5.6877270507e-14 -1.42593720426e-14 5.303204658539999e-14 ] [ 3.685006258199999e-15 -9.773277467399999e-15 9.629081570339999e-14 ] [ 5.7678358824e-14 1.85852489544e-14 -1.26571954086e-14 ] [ -2.81983087584e-14 3.236396800679999e-14 4.02146335134e-14 ] [ 4.277811612779999e-14 -2.25906905394e-14 -5.51148762096e-14 ] [ -9.773277467399999e-15 -4.02146335134e-14 -1.030199575662e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }