{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2158736 0.5391703 1.5850491 ] [ 2.9392754 -1.1475478 -0.2981529 ] [ 3.556568 1.713512 1.8294921 ] [ -0.6239405 -0.3547543 -0.4852677 ] [ 0.4675318 -0.9488404 -0.9321986 ] [ -1.5468533 1.4791738 -0.420911 ] [ -2.5767078 -1.2807137 -1.2780111 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.550220876567931e-09 8.638460492897223e-10 2.539528610840081e-09 ] [ 4.709238327972569e-09 -1.838574256410474e-09 -4.776936058037204e-10 ] [ 5.698250099885414e-09 2.745348865860249e-09 2.931169470558295e-09 ] [ -9.996628818702624e-10 -5.683790455882695e-10 -7.774845637693883e-10 ] [ 7.490685194405415e-10 -1.52020990575052e-09 -1.493546802862491e-09 ] [ -2.478332193067329e-09 2.369897680459895e-09 -6.743737636375488e-10 ] [ -4.128340995793002e-09 -2.051929548078265e-09 -2.047599505542891e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.127729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.385035345439816e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0490467 1.8408031 0.7592603 ] [ 2.7442098 3.4891434 2.5023879 ] [ 5.0150223 2.6708551 1.8838096 ] [ 3.3921882 1.1935332 3.0639767 ] [ 5.7437456 1.1724128 3.6280243 ] [ 4.3982768 3.0788699 4.2633021 ] [ 4.6880947 4.9122865 2.7131318 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0490467e-10 1.8408031e-10 7.592603e-11 ] [ 2.7442098e-10 3.4891434e-10 2.5023879e-10 ] [ 5.0150223e-10 2.6708551e-10 1.8838096e-10 ] [ 3.3921882e-10 1.1935332e-10 3.0639767e-10 ] [ 5.7437456e-10 1.1724128e-10 3.6280243e-10 ] [ 4.3982768e-10 3.0788699e-10 4.2633021e-10 ] [ 4.6880947e-10 4.9122865e-10 2.7131318e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 2.47e-05 -3.23e-05 ] [ -4.42e-05 -9.3e-06 2.06e-05 ] [ 2.6e-05 -9.8e-06 -2.67e-05 ] [ -1.46e-05 4.18e-05 2.16e-05 ] [ 5.13e-05 1.6e-06 2.14e-05 ] [ -2.7e-05 -2.04e-05 1.26e-05 ] [ 1.21e-05 -2.86e-05 -1.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.928053496960001e-15 3.957376253376001e-14 -5.175030485184e-14 ] [ -7.081620663936001e-14 -1.490024257344e-14 3.300483838848e-14 ] [ 4.16565921408e-14 -1.570133088384e-14 -4.277811577536e-14 ] [ -2.339177866368e-14 6.697098274944e-14 3.460701500928e-14 ] [ 8.219166064704e-14 2.56348259328e-15 3.428657968511999e-14 ] [ -4.32587687616e-14 -3.268440306432e-14 2.018742542208e-14 ] [ 1.938633711168e-14 -4.582225135488e-14 -2.739722021568e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.715697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.76097950041767e-18 } }