{ "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" [ [ 1.702328681366208e-11 3.743657107397626e-10 1.755894092111752e-09 ] [ -2.47450251029063e-10 1.790079093799114e-09 -9.096415442950348e-10 ] [ 9.77517756835227e-10 3.128652639314469e-09 4.573988345480468e-10 ] [ -1.54817942345515e-09 -6.515731881469441e-11 5.401884435317355e-09 ] [ -3.348807087907949e-10 -1.272188959409128e-09 2.731285600353516e-09 ] [ 1.381315291881423e-09 -4.949328660258662e-10 -8.456648213669095e-09 ] [ -2.453461124729664e-10 -3.460818299603656e-09 -9.801728839312168e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.759325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.607751814498896e-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" [ [ 1.105501868352e-14 -1.089480102144e-14 1.794437815296e-14 ] [ -1.249697764224e-14 -2.4032649312e-15 -1.12152363456e-14 ] [ -8.010883104e-16 1.393893660096e-14 -4.646312200320001e-15 ] [ 1.794437815296e-14 -1.778416049088e-14 2.72370025536e-15 ] [ 1.28174129664e-15 1.089480102144e-14 -3.68500622784e-15 ] [ -5.44740051072e-15 -1.28174129664e-14 -6.568924145279999e-15 ] [ -1.137545400768e-14 1.92261194496e-14 5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -30.337723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.860639051890644e-18 } }