{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.890274600000001 13.401727700000004 -12.102676900000004 ] [ 3.336583900000001 2.3680681000000003 -3.183333000000001 ] [ 12.361670200000004 9.594076000000001 -6.823262200000002 ] [ -2.2392049000000003 1.8408677000000004 -6.687312800000002 ] [ -12.637846200000004 6.090474100000002 15.544329500000003 ] [ -4.6958337000000006 -14.442940600000004 4.602047500000001 ] [ -5.154797900000001 -4.636821100000001 8.929577600000002 ] [ -2.8608459000000006 -14.215451900000003 -0.27936970000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.905031997901207e-08 2.147193479926776e-08 -1.939062597827623e-08 ] [ 5.345796717917686e-09 3.794063346282278e-09 -5.100261708821128e-09 ] [ 1.980557898848007e-08 1.537140426537838e-08 -1.093207117442838e-08 ] [ -3.587601739960803e-09 2.949395190925869e-09 -1.071425622413659e-08 ] [ -2.024806171890613e-08 9.758015212607924e-09 2.490476131091176e-08 ] [ -7.523554969304762e-09 -2.314014176492313e-08 7.37329291231109e-09 ] [ -8.258896680328938e-09 -7.429006361252141e-09 1.430676046433938e-08 ] [ -4.583580416691536e-09 -2.277566468828695e-08 -4.475996018999099e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.13738 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.226363944016551e-18 } }