{ "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" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.2415229 -46.8143221 -17.5747168 ] [ -24.083984 -18.4771552 -55.0835589 ] [ -185.4463276 143.1758272 43.6538631 ] [ 228.0073538 -195.0762313 95.9232267 ] [ -0.8376814 3.4802374 -2.979783 ] [ 4.6021622 113.711644 -63.939031 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.563484800136782e-08 -7.500481238722076e-08 -2.815780037414099e-08 ] [ -3.858679610052127e-08 -2.960366608033315e-08 -8.825359026003976e-08 ] [ -2.971177704939377e-07 2.293929630035407e-07 6.994119886642383e-08 ] [ 3.65308051628834e-07 -3.125465770626332e-07 1.536859512104383e-07 ] [ -1.342113554759013e-09 5.575954997113778e-09 -4.774138657657286e-09 ] [ 7.373476681969494e-09 1.821861375295326e-07 -1.024416206248064e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 177.85976 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.84962749253099e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.2612523 0.1298516 1.6744711 ] [ 0.2261024 2.0389584 0.3359156 ] [ -0.0616627 3.2934325 2.5273288 ] [ 3.138845 0.3795307 3.4712729 ] [ 2.5850005 2.8360228 -0.1730019 ] [ 2.3672315 2.5665905 2.3451117 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2612523e-10 1.298516e-11 1.6744711e-10 ] [ 2.261024e-11 2.0389584e-10 3.359156e-11 ] [ -6.16627e-12 3.2934325e-10 2.5273288e-10 ] [ 3.138845e-10 3.795307e-11 3.4712729e-10 ] [ 2.5850005e-10 2.8360228e-10 -1.730019e-11 ] [ 2.3672315e-10 2.5665905e-10 2.3451117e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 -2.26e-05 -3.48e-05 ] [ -4.2e-05 1.01e-05 2.64e-05 ] [ 1.78e-05 -5e-07 -5.82e-05 ] [ 1.43e-05 1.7e-06 2.17e-05 ] [ -1.76e-05 1.3e-06 4.54e-05 ] [ 3.04e-05 1e-05 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.646312200320001e-15 -3.620919163008e-14 -5.575574640383999e-14 ] [ -6.72914180736e-14 1.618198387008e-14 4.229746278912e-14 ] [ 2.851874385024e-14 -8.010883104e-16 -9.324667933055999e-14 ] [ 2.291112567744e-14 2.72370025536e-15 3.476723267136e-14 ] [ -2.819830852608e-14 2.08282960704e-15 7.273881858432e-14 ] [ 4.870616927232e-14 1.6021766208e-14 -8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -19.197792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.075825351338128e-18 } }