{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.555899 1.8926657 -0.5123446 ] [ 0.1376821 0.2069106 0.8836588 ] [ -2.7681792 -1.2446412 -0.1634644 ] [ 0.5259002 -0.3210558 1.4832449 ] [ -1.2960716 0.5097488 -0.8342869 ] [ 1.6257825 0.0422985 0.7167843 ] [ 0.218987 -1.0859266 -1.5735922 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.492825002126099e-09 3.032384735530067e-09 -8.208665399131277e-10 ] [ 2.205910417226477e-10 3.315073259157005e-10 1.415777470124183e-09 ] [ -4.435111996424847e-09 -1.994135031924457e-09 -2.618988400130995e-10 ] [ 8.425850053140443e-10 -5.143880967322406e-10 2.376420301700834e-09 ] [ -2.076535616402849e-09 8.167076098408551e-10 -1.336674966219708e-09 ] [ 2.604790712005776e-09 6.77696677949088e-11 1.148415047616493e-09 ] [ 3.508558516591295e-10 -1.739846210424833e-09 -2.521172633513238e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.917389 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.030899838237909e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3862169 2.168137 3.1506581 ] [ 3.0781483 5.3833316 2.7788489 ] [ 2.7480173 3.5738124 1.2481217 ] [ 4.4852083 2.0288583 2.0099078 ] [ 5.4283801 3.2931782 3.8094623 ] [ 4.996654 4.4053958 1.735082 ] [ 3.2506782 3.8527776 4.5958921 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3862169e-10 2.168137e-10 3.1506581e-10 ] [ 3.0781483e-10 5.383331600000001e-10 2.7788489e-10 ] [ 2.7480173e-10 3.5738124e-10 1.2481217e-10 ] [ 4.4852083e-10 2.0288583e-10 2.0099078e-10 ] [ 5.4283801e-10 3.2931782e-10 3.8094623e-10 ] [ 4.996654000000001e-10 4.4053958e-10 1.735082e-10 ] [ 3.2506782e-10 3.8527776e-10 4.595892100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-06 -1.7e-06 2e-07 ] [ 1.6e-06 -9e-07 -6e-07 ] [ -5.8e-06 1.2e-06 -4.3e-06 ] [ -1.6e-06 1.1e-06 6.1e-06 ] [ -3.8e-06 -2.3e-06 -2.4e-06 ] [ 5.3e-06 3.6e-06 -1.9e-06 ] [ -7e-07 -8e-07 2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883104e-15 -2.72370025536e-15 3.2043532416e-16 ] [ 2.56348259328e-15 -1.44195895872e-15 -9.6130597248e-16 ] [ -9.292624400640001e-15 1.92261194496e-15 -6.889359469440001e-15 ] [ -2.56348259328e-15 1.76239428288e-15 9.77327738688e-15 ] [ -6.08827115904e-15 -3.68500622784e-15 -3.84522388992e-15 ] [ 8.491536090240001e-15 5.76783583488e-15 -3.04413557952e-15 ] [ -1.12152363456e-15 -1.28174129664e-15 4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }