{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 681.24153 1106.5715198 -1516.6455665 ] [ -659.1855742 -813.0867201 1734.7290439 ] [ -232.964096 77.163552 -1578.7073971 ] [ 961.7993207 -174.0806999 1366.6735133 ] [ -750.8911805 -196.5676517 -6.0495937 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.091469252484022e-06 1.772923018266684e-06 -2.429934068686272e-06 ] [ -1.056131715751864e-06 -1.302708533627173e-06 2.779342317559317e-06 ] [ -3.732496280970068e-07 1.236296389922851e-07 -2.529368082717642e-06 ] [ 1.540972385526862e-06 -2.789080275122809e-07 2.189652351275858e-06 ] [ -1.203060294162013e-06 -3.149360959592974e-07 -9.692517591478969e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1462.1855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.342679423372759e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.4144143 1.2834613 0.4484183 ] [ 0.2164959 -0.1758931 3.2113144 ] [ 3.1367033 1.7794916 -0.0568461 ] [ 3.6116498 3.1169298 2.3979417 ] [ 0.9738856 2.859269 3.3402807 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.144143000000001e-11 1.2834613e-10 4.484183e-11 ] [ 2.164959e-11 -1.758931e-11 3.2113144e-10 ] [ 3.1367033e-10 1.7794916e-10 -5.68461e-12 ] [ 3.6116498e-10 3.1169298e-10 2.3979417e-10 ] [ 9.738856000000001e-11 2.859269e-10 3.3402807e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.57e-05 3.12e-05 -1.97e-05 ] [ 2.01e-05 -1.88e-05 4.4e-06 ] [ 4.93e-05 -2.65e-05 6e-07 ] [ -6.8e-06 -5.7e-06 -3.74e-05 ] [ -3.7e-05 1.97e-05 5.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.117593915456e-14 4.998791056896e-14 -3.156287942976e-14 ] [ 3.220375007808e-14 -3.012092047104e-14 7.04957713152e-15 ] [ 7.898730740544e-14 -4.24576804512e-14 9.6130597248e-16 ] [ -1.089480102144e-14 -9.13240673856e-15 -5.992140561792e-14 ] [ -5.92805349696e-14 3.156287942976e-14 8.347340194367999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.673165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.870247205374083e-18 } }