{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0106251 0.2336607 1.0959429 ] [ -0.1544463 1.1172795 -0.5677536 ] [ 0.6101186 1.9527514 0.2854859 ] [ -0.9662976 -0.040668 3.3715911 ] [ -0.2090161 -0.7940379 1.7047344 ] [ 0.8621492 -0.3089128 -5.2782247 ] [ -0.153133 -2.1600729 -0.6117758 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.70232869539134e-11 3.743657138240838e-10 1.755894106578199e-09 ] [ -2.474502530677542e-10 1.790079108547203e-09 -9.096415517893823e-10 ] [ 9.775177648887922e-10 3.128652665090787e-09 4.573988383164605e-10 ] [ -1.548179436210278e-09 -6.5157319351512e-11 5.401884479822356e-09 ] [ -3.348807115498074e-10 -1.272188969890428e-09 2.731285622856009e-09 ] [ 1.381315303261793e-09 -4.949328701035151e-10 -8.456648283341659e-09 ] [ -2.453461144943219e-10 -3.460818328116618e-09 -9.80172892006657e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.759325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.607751852461205e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1410744 2.7663045 1.3349773 ] [ 2.4307099 2.8250026 3.6797157 ] [ 3.5755143 1.2245245 2.3655557 ] [ 4.8143056 2.8408936 3.5219054 ] [ 3.0633912 4.8974222 1.1088163 ] [ 4.5147452 3.0533684 1.1871087 ] [ 3.6280264 4.8110652 3.34758 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1410744e-10 2.7663045e-10 1.3349773e-10 ] [ 2.4307099e-10 2.8250026e-10 3.6797157e-10 ] [ 3.5755143e-10 1.2245245e-10 2.3655557e-10 ] [ 4.8143056e-10 2.8408936e-10 3.5219054e-10 ] [ 3.0633912e-10 4.897422200000001e-10 1.1088163e-10 ] [ 4.5147452e-10 3.0533684e-10 1.1871087e-10 ] [ 3.6280264e-10 4.8110652e-10 3.34758e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.9e-06 -6.8e-06 1.12e-05 ] [ -7.8e-06 -1.5e-06 -7e-06 ] [ -5e-07 8.7e-06 -2.9e-06 ] [ 1.12e-05 -1.11e-05 1.7e-06 ] [ 8e-07 6.8e-06 -2.3e-06 ] [ -3.4e-06 -8e-06 -4.1e-06 ] [ -7.1e-06 1.2e-05 3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.10550187746e-14 -1.08948011112e-14 1.79443783008e-14 ] [ -1.24969777452e-14 -2.403264951e-15 -1.1215236438e-14 ] [ -8.010883169999999e-16 1.39389367158e-14 -4.6463122386e-15 ] [ 1.79443783008e-14 -1.77841606374e-14 2.7237002778e-15 ] [ 1.2817413072e-15 1.08948011112e-14 -3.685006258199999e-15 ] [ -5.4474005556e-15 -1.2817413072e-14 -6.568924199399999e-15 ] [ -1.13754541014e-14 1.9226119608e-14 5.2871828922e-15 ] ] } "relaxed-potential-energy" { "source-value" -30.337723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.860639091936438e-18 } }