{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5679801 0.7633564 0.9423091 ] [ 0.2455229 2.923672 2.888178 ] [ 2.982858 0.4812947 0.275924 ] [ 2.014612 0.8507009 1.879414 ] [ 2.889268 2.773535 0.4342581 ] [ 2.382569 2.78537 2.868502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.679801e-11 7.633564000000001e-11 9.423091e-11 ] [ 2.455229e-11 2.923672e-10 2.888178e-10 ] [ 2.982858e-10 4.812947e-11 2.75924e-11 ] [ 2.014612e-10 8.507009e-11 1.879414e-10 ] [ 2.889268e-10 2.773535e-10 4.342581e-11 ] [ 2.382569e-10 2.78537e-10 2.868502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.625432 -2.1771819 -8.9994595 ] [ -5.6674397 2.0763538 0.7808581 ] [ 11.2284875 -5.6211369 -12.106265 ] [ 10.082876 -7.7453348 21.6183065 ] [ 4.5676734 9.0540985 -4.5792816 ] [ 4.4138348 4.4132013 3.2858415 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.945429142750018e-08 -3.488229939408923e-09 -1.441872361073646e-08 ] [ -9.080239387133766e-09 3.326685514869239e-09 1.251072591982309e-09 ] [ 1.799002015944504e-08 -9.006054123496188e-09 -1.939637474820931e-08 ] [ 1.615454819762542e-08 -1.240939433682864e-08 3.463634525558867e-08 ] [ 7.318219532930047e-09 1.450626493912035e-08 -7.336817919579617e-09 ] [ 7.071742924633444e-09 7.070727945744167e-09 5.264498430954404e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.0053792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.610795049278607e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2462712 0.7350725 1.1574062 ] [ 0.1144584 2.8368305 2.2796599 ] [ 2.4878664 0.838968 -0.0354678 ] [ 2.4483654 0.3874334 2.558196 ] [ 3.338932 2.9862235 0.5638423 ] [ 2.4469167 2.793401 2.7649486 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.462712e-11 7.350725e-11 1.1574062e-10 ] [ 1.144584e-11 2.8368305e-10 2.2796599e-10 ] [ 2.4878664e-10 8.38968e-11 -3.54678e-12 ] [ 2.4483654e-10 3.874334e-11 2.558196e-10 ] [ 3.338932e-10 2.9862235e-10 5.638423e-11 ] [ 2.4469167e-10 2.793401e-10 2.7649486e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.76e-05 1.06e-05 -3.57e-05 ] [ -4.7e-05 1.06e-05 3.11e-05 ] [ -3.5e-06 -4.87e-05 -2.03e-05 ] [ 4.22e-05 -5.56e-05 3.39e-05 ] [ 3.68e-05 4.24e-05 -2.2e-06 ] [ 9.1e-06 4.08e-05 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.024184094208e-14 1.698307218048e-14 -5.719770536256001e-14 ] [ -7.530230117759999e-14 1.698307218048e-14 4.982769290688e-14 ] [ -5.6076181728e-15 -7.802600143296e-14 -3.252418540224e-14 ] [ 6.761185339776e-14 -8.908102011648e-14 5.431378744512e-14 ] [ 5.896009964544001e-14 6.793228872192001e-14 -3.52478856576e-15 ] [ 1.457980724928e-14 6.536880612864e-14 -1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.124626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.423232217554382e-18 } }