{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.586158 0.6938923 0.8841089 ] [ 2.34485 2.26041 2.433738 ] [ 3.767171 2.568287 0.2210666 ] [ 4.342877 1.484782 1.999902 ] [ 4.214846 3.620834 1.934125 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.586158e-10 6.938923e-11 8.841089e-11 ] [ 2.34485e-10 2.26041e-10 2.433738e-10 ] [ 3.767171e-10 2.568287e-10 2.210666e-11 ] [ 4.342877e-10 1.484782e-10 1.999902e-10 ] [ 4.214846e-10 3.620834e-10 1.934125e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9127668 -3.6271591 -2.7727929 ] [ -5.8813906 2.2538526 3.9598852 ] [ -1.2037667 0.9727541 -10.9887962 ] [ 8.2220943 -8.0172269 5.4090484 ] [ 1.7758299 8.4177793 4.3926554 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.66676686880243e-09 -5.811349509941969e-09 -4.442503958700231e-09 ] [ -9.423026517112884e-09 3.611069942449294e-09 6.344435488491932e-09 ] [ -1.928646863637567e-09 1.558523876807345e-09 -1.760599236237588e-08 ] [ 1.317324726147294e-08 -1.284501350282886e-08 8.666250887255647e-09 ] [ 2.845193148297602e-09 1.348676919351419e-08 7.037809785110873e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3058188 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.490956531876111e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7662976 0.8279236 0.9837176 ] [ 1.9824087 2.5151813 2.4741358 ] [ 3.5879609 2.7230325 -0.2062833 ] [ 4.7831726 1.1387085 2.2159115 ] [ 4.1360622 3.4233594 2.0054589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7662976e-10 8.279236e-11 9.837176e-11 ] [ 1.9824087e-10 2.5151813e-10 2.4741358e-10 ] [ 3.5879609e-10 2.7230325e-10 -2.062833e-11 ] [ 4.783172600000001e-10 1.1387085e-10 2.2159115e-10 ] [ 4.1360622e-10 3.4233594e-10 2.0054589e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-07 -1.51e-05 -5.9e-06 ] [ -8.9e-06 6.4e-06 2.2e-06 ] [ -2e-07 3.1e-06 9.5e-06 ] [ 2.2e-06 -2.2e-06 -1.9e-06 ] [ 7.1e-06 7.7e-06 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.8065298624e-16 -2.419286697408e-14 -9.45284206272e-15 ] [ -1.425937192512e-14 1.025393037312e-14 3.52478856576e-15 ] [ -3.2043532416e-16 4.96674752448e-15 1.52206778976e-14 ] [ 3.52478856576e-15 -3.52478856576e-15 -3.04413557952e-15 ] [ 1.137545400768e-14 1.233675998016e-14 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.103084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.259563146597855e-18 } }