{ "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" [ [ 13.5387053 8.8155706 -67.7275857 ] [ -24.2577543 -28.1129651 62.4996519 ] [ -4.5096997 6.1383307 -83.5784521 ] [ 92.8352362 -21.2858376 54.5408468 ] [ -77.6064874 34.4449014 34.2655391 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.169139710756105e-08 1.412410111433183e-08 -1.085115543917684e-07 ] [ -3.886520681257067e-08 -4.504193542458633e-08 1.001354810823183e-07 ] [ -7.225335426168774e-09 9.8346899382789e-09 -1.339074419572727e-07 ] [ 1.487384450260858e-07 -3.410367135686559e-08 8.738406962159449e-08 ] [ -1.243392997346898e-07 5.518681572884119e-08 5.489944564512826e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 63.245816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.013309677586186e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7162991 1.2794924 0.8604775 ] [ 0.1110767 0.2339891 3.0403644 ] [ 2.8935925 1.9183694 0.1438244 ] [ 3.3806216 2.9824617 2.1886517 ] [ 1.2515591 2.4489461 3.107791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.162991e-11 1.2794924e-10 8.604775000000001e-11 ] [ 1.110767e-11 2.339891e-11 3.0403644e-10 ] [ 2.8935925e-10 1.9183694e-10 1.438244e-11 ] [ 3.3806216e-10 2.9824617e-10 2.1886517e-10 ] [ 1.2515591e-10 2.4489461e-10 3.107791e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 -8e-06 -5.8e-06 ] [ 3.5e-06 6.2e-06 -1.7e-06 ] [ -3.6e-06 2.4e-06 3.1e-06 ] [ 2.1e-06 -5e-07 3.8e-06 ] [ 2.3e-06 -1e-07 7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.889359469440001e-15 -1.28174129664e-14 -9.292624400640001e-15 ] [ 5.6076181728e-15 9.93349504896e-15 -2.72370025536e-15 ] [ -5.76783583488e-15 3.84522388992e-15 4.96674752448e-15 ] [ 3.36457090368e-15 -8.010883104e-16 6.08827115904e-15 ] [ 3.68500622784e-15 -1.6021766208e-16 1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.164352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.788726376078172e-18 } }