{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.8328 1.144076 3.909989 ] [ 1.831555 2.949109 3.983595 ] [ 4.980623 2.123246 2.998848 ] [ 3.28235 2.585733 1.880535 ] [ 4.448764 2.855471 5.04642 ] [ 4.331941 4.016039 3.033368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8328e-10 1.144076e-10 3.909989e-10 ] [ 1.831555e-10 2.949109e-10 3.983595000000001e-10 ] [ 4.980622999999999e-10 2.123246e-10 2.998848e-10 ] [ 3.28235e-10 2.585733e-10 1.880535e-10 ] [ 4.448764e-10 2.855471e-10 5.04642e-10 ] [ 4.331941e-10 4.016039e-10 3.033368e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1550109 -2.8194708 -0.1047571 ] [ -0.8790691 3.1725584 -0.2163119 ] [ 4.910492 -6.922675 0.7277445 ] [ -4.5158928 -1.149238 -2.7780808 ] [ -0.9266284 -0.1798132 1.1914543 ] [ -0.7439126 7.8986386 1.179951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.452708081549167e-09 -4.517290198788272e-09 -1.678393764828077e-10 ] [ -1.408423960087697e-09 5.082998896602655e-09 -3.465698689808275e-10 ] [ 7.867475479025432e-09 -1.109134803839664e-08 1.165975223815786e-09 ] [ -7.23525786619905e-09 -1.841282255334951e-09 -4.450976108453361e-09 ] [ -1.484622358649311e-09 -2.880925051512346e-10 1.90892022421163e-09 ] [ -1.191879375638542e-09 1.265501410106844e-08 1.890489905889581e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.868915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.382262798966243e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0510899 1.0387253 3.8433572 ] [ 2.1078522 3.266927 3.9484137 ] [ 5.1281579 1.9576295 3.0025042 ] [ 3.0428036 2.4444273 1.8711582 ] [ 4.1932081 2.7801325 5.0797594 ] [ 4.1849212 4.1858324 3.1075622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0510899e-10 1.0387253e-10 3.8433572e-10 ] [ 2.1078522e-10 3.266927e-10 3.9484137e-10 ] [ 5.1281579e-10 1.9576295e-10 3.0025042e-10 ] [ 3.0428036e-10 2.4444273e-10 1.8711582e-10 ] [ 4.1932081e-10 2.7801325e-10 5.0797594e-10 ] [ 4.1849212e-10 4.1858324e-10 3.1075622e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 -4.6e-06 -6.2e-06 ] [ -2.3e-06 7.2e-06 -4.3e-06 ] [ 4.2e-06 -5e-06 4.7e-06 ] [ -7.8e-06 -4.9e-06 -1e-07 ] [ 5.9e-06 -1.5e-06 4.9e-06 ] [ -2.2e-06 8.9e-06 1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.68500622784e-15 -7.370012455680001e-15 -9.93349504896e-15 ] [ -3.68500622784e-15 1.153567166976e-14 -6.889359469440001e-15 ] [ 6.72914180736e-15 -8.010883104e-15 7.53023011776e-15 ] [ -1.249697764224e-14 -7.850665441919999e-15 -1.6021766208e-16 ] [ 9.45284206272e-15 -2.4032649312e-15 7.850665441919999e-15 ] [ -3.52478856576e-15 1.425937192512e-14 1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.290227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.770199746772493e-18 } }