{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2894591 -3.3753952 -2.1502995 ] [ -9.6467137 0.4099737 4.5060908 ] [ -3.7606112 -0.5911829 0.034315 ] [ 2.3513023 -1.613785 -4.1670247 ] [ 5.0977716 -1.4239977 5.9883008 ] [ -0.5203752 -0.5458401 -5.6720758 ] [ 9.7680855 7.1402271 1.4606934 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.27029446509781e-09 -5.407979275400541e-09 -3.44515958661793e-09 ] [ -1.545573915769106e-08 6.56850277282873e-10 7.219553330961969e-09 ] [ -6.025163344558632e-09 -9.471794209967443e-10 5.4978690742752e-11 ] [ 3.767201573493268e-09 -2.585568597997728e-09 -6.676309552636134e-09 ] [ 8.16753047569821e-09 -2.281495823012972e-09 9.594315540077937e-09 ] [ -8.337329794841243e-10 -8.745322469151342e-10 -9.087667238165458e-09 ] [ 1.565019821807548e-08 1.143990492682258e-08 2.340288815636863e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.554123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.690956912364756e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.21374 0.5219482 1.8145867 ] [ 0.0032259 2.267006 2.4280483 ] [ 1.4798204 3.8873208 2.700722 ] [ 3.2889821 1.2789192 1.790875 ] [ 6.7707406 4.554988 5.1116263 ] [ 3.6178342 3.3492287 2.5019534 ] [ 5.4068618 4.2622941 3.4117032 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.21374e-10 5.219482e-11 1.8145867e-10 ] [ 3.2259e-13 2.267006e-10 2.4280483e-10 ] [ 1.4798204e-10 3.8873208e-10 2.700722e-10 ] [ 3.2889821e-10 1.2789192e-10 1.790875e-10 ] [ 6.7707406e-10 4.554988e-10 5.111626300000001e-10 ] [ 3.6178342e-10 3.3492287e-10 2.5019534e-10 ] [ 5.4068618e-10 4.2622941e-10 3.4117032e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0726528 0.0136976 -0.041363 ] [ 0.0257128 0.0773871 -0.0250897 ] [ -0.2150827 -0.0146447 0.0200594 ] [ -0.1009996 -0.199458 -0.0495413 ] [ 0.0987049 0.0531487 0.0432756 ] [ 0.3113907 0.1527815 0.1869105 ] [ -0.1923789 -0.0829122 -0.1342516 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.164026175956583e-10 2.194597448107008e-11 -6.62708315661504e-11 ] [ 4.119644701530624e-11 1.239878023715117e-10 -4.019813076288576e-11 ] [ -3.446004734785401e-10 -2.346339595862976e-11 3.213870170727552e-11 ] [ -1.618191978301517e-10 -3.195669444315264e-10 -7.937391262403905e-11 ] [ 1.581426831384019e-10 8.515360456591296e-11 6.933515457109247e-11 ] [ 4.989028994745466e-10 2.447829473907552e-10 2.994636332820384e-10 ] [ -3.082249759152211e-10 -1.328399884190938e-10 -2.150947748249933e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.459679 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.637131287967273e-18 } }