{ "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" [ [ 1.201304 1.645112 1.368441 ] [ 2.96083 0.196256 2.000233 ] [ 1.817638 2.196428 3.68098 ] [ 1.740873 3.89811 0.9150282 ] [ 4.00836 2.276208 0.7214657 ] [ 3.949621 2.27126 3.236775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.201304e-10 1.645112e-10 1.368441e-10 ] [ 2.96083e-10 1.96256e-11 2.000233e-10 ] [ 1.817638e-10 2.196428e-10 3.68098e-10 ] [ 1.740873e-10 3.89811e-10 9.150282e-11 ] [ 4.00836e-10 2.276208e-10 7.214657e-11 ] [ 3.949621e-10 2.27126e-10 3.236775e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2047878 0.2893558 -0.4803367 ] [ 0.9062413 -0.3553098 -0.3356316 ] [ -2.3409174 0.3484612 0.673152 ] [ 1.0855766 -0.8912566 -0.0180588 ] [ -1.0810957 0.4781153 0.5553982 ] [ 2.6349829 0.1306342 -0.3945231 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.930282846185066e-09 4.635990978528807e-10 -7.695842308522234e-10 ] [ 1.451958623663399e-09 -5.692690547011238e-10 -5.377411027216973e-10 ] [ -3.750563129503922e-09 5.58296387895913e-10 1.078508396644762e-09 ] [ 1.739285448607553e-09 -1.427950487653697e-09 -2.893338715970304e-11 ] [ -1.732106255387411e-09 7.660251557067783e-10 8.898460112744024e-10 ] [ 4.221707998587784e-09 2.092990611169114e-10 -6.320956871855405e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -14.499629 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323096659407369e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9219713 1.2964947 1.6737997 ] [ 3.1119756 0.3164506 1.5267984 ] [ 1.7470511 2.8708461 3.4698216 ] [ 1.885287 3.5444176 1.0383139 ] [ 4.0753004 2.5643869 0.8913476 ] [ 3.9370406 1.8907782 3.3228417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.219713000000001e-11 1.2964947e-10 1.6737997e-10 ] [ 3.1119756e-10 3.164506000000001e-11 1.5267984e-10 ] [ 1.7470511e-10 2.8708461e-10 3.4698216e-10 ] [ 1.885287e-10 3.5444176e-10 1.0383139e-10 ] [ 4.0753004e-10 2.5643869e-10 8.913476e-11 ] [ 3.9370406e-10 1.8907782e-10 3.3228417e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.67e-05 -1.05e-05 2.6e-06 ] [ -2.42e-05 1.8e-05 1.59e-05 ] [ -2e-06 -1.84e-05 -3.26e-05 ] [ 4.03e-05 -1e-06 2.19e-05 ] [ -4.14e-05 -7e-07 1.27e-05 ] [ 5e-07 1.26e-05 -2.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.277811577536e-14 -1.68228545184e-14 4.16565921408e-15 ] [ -3.877267422336e-14 2.88391791744e-14 2.547460827072e-14 ] [ -3.2043532416e-15 -2.948004982272e-14 -5.223095783807999e-14 ] [ 6.456771781824e-14 -1.6021766208e-15 3.508766799552e-14 ] [ -6.633011210111999e-14 -1.12152363456e-15 2.034764308416e-14 ] [ 8.010883104e-16 2.018742542208e-14 -3.268440306432e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.807034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.532566031899071e-18 } }