{ "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" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -44.2718613 -38.1141885 -26.3519308 ] [ -22.3250652 -101.6831573 -5.4149432 ] [ -29.3299969 103.2153546 29.5010124 ] [ 41.1971585 15.7656553 -176.6941486 ] [ 62.4384442 -160.9122527 111.7531743 ] [ -7.7086792 181.7285886 67.2068358 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.093134171854886e-08 -6.106566223857149e-08 -4.222044778854492e-08 ] [ -3.576869781596654e-08 -1.629143786974065e-07 -8.675695469477188e-09 ] [ -4.699183570847243e-08 1.653692294101444e-07 4.726583274662426e-08 ] [ 6.600512473589448e-08 2.525936454135826e-08 -2.830952362514438e-07 ] [ 1.000374163605528e-07 -2.578098514002434e-07 1.790483246387893e-07 ] [ -1.235066569324181e-08 2.911612983847187e-07 1.076772219638347e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 115.80366 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.855379181836804e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7076112 -0.0567101 -0.0399305 ] [ 0.3793661 -0.2230268 2.435552 ] [ -0.0445159 2.1930769 2.9317166 ] [ 2.8855491 1.1309042 0.3782855 ] [ 2.8589088 0.1086589 2.8119468 ] [ 2.3703246 2.6721378 2.4142531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.076112e-11 -5.67101e-12 -3.99305e-12 ] [ 3.793661e-11 -2.230268e-11 2.435552e-10 ] [ -4.45159e-12 2.1930769e-10 2.9317166e-10 ] [ 2.8855491e-10 1.1309042e-10 3.782855e-11 ] [ 2.8589088e-10 1.086589e-11 2.8119468e-10 ] [ 2.3703246e-10 2.6721378e-10 2.4142531e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.36e-05 1.15e-05 -7.8e-06 ] [ 1.15e-05 -7.7e-06 -3.28e-05 ] [ -3.1e-05 1.11e-05 4.11e-05 ] [ 1.6e-05 -3.86e-05 2.45e-05 ] [ 1.81e-05 -3.6e-06 1.6e-06 ] [ -1e-06 2.73e-05 -2.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.17896022224e-14 1.8425031291e-14 -1.24969777452e-14 ] [ 1.8425031291e-14 -1.23367600818e-14 -5.255139359519999e-14 ] [ -4.966747565399999e-14 1.77841606374e-14 6.58494596574e-14 ] [ 2.5634826144e-14 -6.18440180724e-14 3.925332753299999e-14 ] [ 2.899939707539999e-14 -5.767835882399999e-15 2.5634826144e-15 ] [ -1.602176634e-15 4.37394221082e-14 -4.26178984644e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.625291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.144318267565049e-18 } }