{ "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" [ [ -15.4881439 -12.8927794 -5.4062255 ] [ -7.7181726 2.4047485 8.8326224 ] [ -10.6578149 2.0229447 -4.4020748 ] [ 7.4748987 -1.4027844 -4.0963247 ] [ 11.2396348 -3.3353404 6.8097665 ] [ 1.5898869 -3.3765497 -10.9850456 ] [ 13.559711 16.5797608 9.2472817 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.481474205616613e-08 -2.065650973181185e-08 -8.66172810287279e-09 ] [ -1.236587569501915e-08 3.852831825603869e-09 1.415142110963439e-08 ] [ -1.707570186159389e-08 3.24111470351127e-09 -7.052901327572836e-09 ] [ 1.197610793998831e-08 -2.247508369702956e-09 -6.563035665545575e-09 ] [ 1.800788010289008e-08 -5.34380441128972e-09 1.091044867940704e-08 ] [ 2.547279620896188e-09 -5.409828988309254e-09 -1.759998323874191e-08 ] [ 2.172505194900459e-08 2.656370513221631e-08 1.481577854569168e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0983854 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.168513891708056e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8008709 0.5450756 2.7075511 ] [ 1.7662859 2.6384523 4.1268056 ] [ 1.3783981 4.1895133 2.2137814 ] [ 4.0723786 1.4874864 2.1146745 ] [ 4.2275964 2.6859186 4.2606154 ] [ 3.6235296 3.7429047 1.2259349 ] [ 4.9121455 4.8323541 3.1101521 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8008709e-10 5.450756e-11 2.7075511e-10 ] [ 1.7662859e-10 2.6384523e-10 4.1268056e-10 ] [ 1.3783981e-10 4.1895133e-10 2.2137814e-10 ] [ 4.072378600000001e-10 1.4874864e-10 2.1146745e-10 ] [ 4.2275964e-10 2.6859186e-10 4.2606154e-10 ] [ 3.6235296e-10 3.7429047e-10 1.2259349e-10 ] [ 4.9121455e-10 4.8323541e-10 3.1101521e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.3e-06 1.34e-05 7e-07 ] [ -1.24e-05 -4.9e-06 -3.14e-05 ] [ -1.46e-05 5.1e-06 -1.17e-05 ] [ 1.35e-05 2.48e-05 5.2e-06 ] [ 3.53e-05 -2.8e-05 4.8e-05 ] [ -3.18e-05 -7.8e-06 9.3e-06 ] [ 1.32e-05 -2.6e-06 -2.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.28718284864e-15 2.146916671872e-14 1.12152363456e-15 ] [ -1.986699009792e-14 -7.850665441919999e-15 -5.030834589312e-14 ] [ -2.339177866368e-14 8.17110076608e-15 -1.874546646336e-14 ] [ 2.16293843808e-14 3.973398019584e-14 8.33131842816e-15 ] [ 5.655683471424e-14 -4.48609453824e-14 7.69044777984e-14 ] [ -5.094921654144e-14 -1.249697764224e-14 1.490024257344e-14 ] [ 2.114873139456e-14 -4.16565921408e-15 -3.220375007808e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }