{ "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" [ [ -7.9392502 -0.2343012 -4.3940687 ] [ -1.4417901 0.9586359 1.0660678 ] [ 1.1025691 -1.6477931 -0.165463 ] [ 6.3936612 -0.6593326 9.1736114 ] [ -0.6199848 1.1406928 -0.0978873 ] [ 2.1298394 0.7000417 -5.4046644 ] [ 0.3749554 -0.2579434 -0.1775957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.272008116191983e-08 -3.753919079581607e-10 -7.040074199330756e-09 ] [ -2.310002409352523e-09 1.535904039493561e-09 1.708028919419785e-09 ] [ 1.766510449390409e-09 -2.640055602486425e-09 -2.65100952391542e-10 ] [ 1.02437745803524e-08 -1.056367285754468e-09 1.469774583447603e-08 ] [ -9.933251599951631e-10 1.827591350732035e-09 -1.568327448253482e-10 ] [ 3.412378920852579e-09 1.121590454565638e-09 -8.659227016291628e-09 ] [ 6.007447806721236e-10 -4.132708883745156e-10 -2.845396808388738e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.913988 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.030354962935639e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9799151 2.6726876 1.2205317 ] [ 2.3251335 2.8089177 3.8159247 ] [ 3.5860721 1.1938931 2.3011002 ] [ 4.8690574 2.7099475 3.7081295 ] [ 2.8987673 4.9170449 1.0213786 ] [ 4.6658908 3.2419558 1.2149394 ] [ 3.8429306 4.8741343 3.2636549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9799151e-10 2.6726876e-10 1.2205317e-10 ] [ 2.3251335e-10 2.8089177e-10 3.8159247e-10 ] [ 3.5860721e-10 1.1938931e-10 2.3011002e-10 ] [ 4.8690574e-10 2.7099475e-10 3.7081295e-10 ] [ 2.8987673e-10 4.9170449e-10 1.0213786e-10 ] [ 4.6658908e-10 3.2419558e-10 1.2149394e-10 ] [ 3.8429306e-10 4.8741343e-10 3.2636549e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.18e-05 -3.8e-06 -0.0001122 ] [ -1.8e-05 4.74e-05 -1.51e-05 ] [ 2.84e-05 -1.2e-06 3.4e-05 ] [ -8.5e-06 -5.03e-05 4.5e-06 ] [ 3.6e-06 -0.0001444 0.0001408 ] [ 1.09e-05 3.28e-05 -7.35e-05 ] [ 3.53e-05 0.0001195 2.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.299274964119999e-14 -6.088271209199999e-15 -1.797642183348e-13 ] [ -2.8839179412e-14 7.59431724516e-14 -2.41928671734e-14 ] [ 4.550181640559999e-14 -1.9226119608e-15 5.447400555599999e-14 ] [ -1.3618501389e-14 -8.05894846902e-14 7.209794853e-15 ] [ 5.767835882399999e-15 -2.313543059496e-13 2.255864700672e-13 ] [ 1.74637253106e-14 5.255139359519999e-14 -1.17759982599e-13 ] [ 5.655683518019999e-14 1.91460107763e-13 3.4446797631e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.095233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.540046603538572e-18 } }