{ "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" [ [ 0.8594843 0.7172344 0.0157799 ] [ 0.2882733 0.8856534 2.226981 ] [ 1.449769 2.87204 1.321697 ] [ 2.751005 0.6869835 1.2059 ] [ 2.852604 2.214321 2.896583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.594843e-11 7.172344000000001e-11 1.57799e-12 ] [ 2.882733e-11 8.856534000000001e-11 2.226981e-10 ] [ 1.449769e-10 2.87204e-10 1.321697e-10 ] [ 2.751005e-10 6.869835e-11 1.2059e-10 ] [ 2.852604e-10 2.214321e-10 2.896583e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5288154 1.0309212 -0.7786297 ] [ 4.3795363 2.4341338 0.6431371 ] [ -1.6491439 -2.0842133 -1.5290066 ] [ -0.4795054 0.0660066 0.4808917 ] [ -1.7220716 -1.4468484 1.1836076 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.472556705990004e-10 1.651717844527081e-09 -1.247502301600518e-09 ] [ 7.016790669804935e-09 3.899912266259063e-09 1.030419225589112e-09 ] [ -2.642219800914934e-09 -3.339277822020417e-09 -2.449738627568897e-09 ] [ -7.682523414273524e-10 1.057542313384973e-10 7.704734388767674e-10 ] [ -2.75906285686365e-09 -2.318106680321887e-09 1.896348424921198e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.482504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.961223580264248e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7007567 0.8230738 -0.0057105 ] [ 0.6803028 0.9410467 2.3456852 ] [ 1.5095861 2.7542816 1.0711628 ] [ 2.7307905 0.7304189 1.1833133 ] [ 2.5796995 2.1274112 3.0724901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.007567e-11 8.230738e-11 -5.710500000000001e-13 ] [ 6.803028e-11 9.410467000000001e-11 2.3456852e-10 ] [ 1.5095861e-10 2.7542816e-10 1.0711628e-10 ] [ 2.7307905e-10 7.304189e-11 1.1833133e-10 ] [ 2.5796995e-10 2.1274112e-10 3.0724901e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.13e-05 1.52e-05 -4.3e-05 ] [ 1.35e-05 -2.43e-05 3.51e-05 ] [ -7.8e-06 3.03e-05 -1.67e-05 ] [ 1.96e-05 -3.81e-05 1.55e-05 ] [ -4e-06 1.7e-05 9.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.412636202304e-14 2.435308463616e-14 -6.889359469439999e-14 ] [ 2.16293843808e-14 -3.893289188544e-14 5.623639939008e-14 ] [ -1.249697764224e-14 4.854595161024e-14 -2.675634956736e-14 ] [ 3.140266176767999e-14 -6.104292925248e-14 2.48337376224e-14 ] [ -6.4087064832e-15 2.72370025536e-14 1.474002491136e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.398784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.268245481754911e-18 } }