{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2698621 -4.9246197 -1.8804944 ] [ -0.7091473 -5.9164288 8.7742043 ] [ -3.7887233 8.0210982 -8.5707825 ] [ 1.0743205 1.3360038 3.1806455 ] [ 1.8541297 -0.9973302 -3.1070611 ] [ -0.2514217 -1.0260483 0.7316494 ] [ 2.0907043 3.507325 0.8718388 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.323667474599917e-10 -7.890110549671111e-09 -3.012884163225324e-09 ] [ -1.136179224763444e-09 -9.479163901987799e-09 1.405782499558283e-08 ] [ -6.070203893940225e-09 1.285121600918097e-08 -1.373190734346178e-08 ] [ 1.721251188346166e-09 2.140514053659959e-09 5.095955859152726e-09 ] [ 2.970643257270918e-09 -1.597899129657788e-09 -4.978060653817131e-09 ] [ -4.028219697017914e-10 -1.643910598071585e-09 1.172231563302347e-09 ] [ 3.349677550466029e-09 5.61935411654736e-09 1.396839742466327e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.658743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.028154208331566e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5346078 1.5094129 2.000206 ] [ 2.5091735 1.9351307 4.5032911 ] [ 2.2286494 3.9374233 2.9061647 ] [ 4.576914 3.0226048 1.9530475 ] [ 4.6465744 3.1104535 4.4769875 ] [ 5.328025 5.3208416 1.6796101 ] [ 4.0638119 5.3871551 3.7258491 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5346078e-10 1.5094129e-10 2.000206e-10 ] [ 2.5091735e-10 1.9351307e-10 4.503291100000001e-10 ] [ 2.2286494e-10 3.9374233e-10 2.9061647e-10 ] [ 4.576914e-10 3.0226048e-10 1.9530475e-10 ] [ 4.6465744e-10 3.1104535e-10 4.4769875e-10 ] [ 5.328025e-10 5.3208416e-10 1.6796101e-10 ] [ 4.0638119e-10 5.3871551e-10 3.7258491e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.63e-05 -4.08e-05 5.5e-06 ] [ -5.58e-05 -7.28e-05 -1.4e-06 ] [ 5.83e-05 7.8e-06 -4.83e-05 ] [ -3.71e-05 8.14e-05 7.87e-05 ] [ 5.7e-06 4.45e-05 2.96e-05 ] [ -6.32e-05 4.77e-05 1.08e-05 ] [ 0.0001185 -6.79e-05 -7.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.213724512704e-14 -6.536880612864e-14 8.8119714144e-15 ] [ -8.940145544064e-14 -1.1663845799424e-13 -2.24304726912e-15 ] [ 9.340689699264e-14 1.249697764224e-14 -7.738513078464e-14 ] [ -5.944075263168e-14 1.3041717693312e-13 1.2609130005696e-13 ] [ 9.13240673856e-15 7.129685962560001e-14 4.742442797568e-14 ] [ -1.0125756243456e-13 7.642382481215999e-14 1.730350750464e-14 ] [ 1.898579295648e-13 -1.0878779255232e-13 -1.2016324656e-13 ] ] } "relaxed-potential-energy" { "source-value" -17.192907 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.754607363898867e-18 } }