{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3354546 -1.6841958 -0.8265426 ] [ -0.1621977 -2.1186018 2.1675995 ] [ -4.4858261 0.8378939 4.6022576 ] [ -3.6479714 3.2639749 -2.0522777 ] [ 1.8198608 -2.9587666 -7.0036758 ] [ 6.8104487 -6.7340171 6.0613936 ] [ 0.0011402 9.3937126 -2.9487546 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.374575174598157e-10 -2.698379135609553e-09 -1.324267229815246e-09 ] [ -2.598693628875322e-10 -3.394374272744797e-09 3.47287724215777e-09 ] [ -7.187085702394442e-09 1.342454017290933e-09 7.373629529619117e-09 ] [ -5.844694490427044e-09 5.229464275658018e-09 -3.288111350329196e-09 ] [ 2.915738426870385e-09 -4.740466672923905e-09 -1.122112562642274e-08 ] [ 1.091154168429775e-08 -1.078908476168742e-08 9.711423115386748e-09 ] [ 1.82680178303616e-12 1.505038671023438e-08 -4.724425680596456e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.375935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.982843371754045e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9056455 1.6606544 2.4968199 ] [ 1.9723424 1.4368286 4.8821192 ] [ 2.7471397 3.8260294 5.4913666 ] [ 0.9421896 3.840632 2.2474706 ] [ 4.1050301 2.7270536 2.5922727 ] [ 4.5134085 2.0183116 4.8522327 ] [ 2.9054773 4.7438674 3.2830392 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9056455e-10 1.6606544e-10 2.4968199e-10 ] [ 1.9723424e-10 1.4368286e-10 4.8821192e-10 ] [ 2.7471397e-10 3.8260294e-10 5.4913666e-10 ] [ 9.421896e-11 3.840632e-10 2.2474706e-10 ] [ 4.1050301e-10 2.7270536e-10 2.5922727e-10 ] [ 4.5134085e-10 2.0183116e-10 4.8522327e-10 ] [ 2.9054773e-10 4.7438674e-10 3.2830392e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.34e-05 -1.68e-05 -8.7e-06 ] [ 1.11e-05 -2.5e-06 7e-06 ] [ -1.62e-05 5.1e-06 1.78e-05 ] [ 9e-07 1.62e-05 -6.6e-06 ] [ 6.7e-06 -7.7e-06 -1.75e-05 ] [ 7.3e-06 5e-06 4.4e-06 ] [ 3.6e-06 7e-07 3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.146916671872e-14 -2.691656722944e-14 -1.393893660096e-14 ] [ 1.778416049088e-14 -4.005441552e-15 1.12152363456e-14 ] [ -2.595526125696e-14 8.17110076608e-15 2.851874385024e-14 ] [ 1.44195895872e-15 2.595526125696e-14 -1.057436569728e-14 ] [ 1.073458335936e-14 -1.233675998016e-14 -2.8038090864e-14 ] [ 1.169588933184e-14 8.010883104e-15 7.04957713152e-15 ] [ 5.76783583488e-15 1.12152363456e-15 5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }