{ "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" [ 5.35419 0 0 ] "si-unit" "m" "si-value" [ 5.35419e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.128546 5.3923 0 ] "si-unit" "m" "si-value" [ 1.28546e-11 5.3923e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0752915 -0.0875116 5.49588 ] "si-unit" "m" "si-value" [ 7.52915e-12 -8.75116e-12 5.495879999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00225511 0.0160353 -0.067451 ] [ 1.37153 1.32836 1.3623 ] [ 0.0305896 2.71279 2.89841 ] [ 1.38735 4.02786 4.05412 ] [ 2.7178 -0.0621827 2.7228 ] [ 3.99586 1.31169 4.14487 ] [ 2.78113 2.65016 0.11239 ] [ 4.13075 3.95144 1.3393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.25511e-13 1.60353e-12 -6.7451e-12 ] [ 1.37153e-10 1.32836e-10 1.3623e-10 ] [ 3.05896e-12 2.71279e-10 2.89841e-10 ] [ 1.38735e-10 4.027860000000001e-10 4.05412e-10 ] [ 2.7178e-10 -6.21827e-12 2.7228e-10 ] [ 3.99586e-10 1.31169e-10 4.14487e-10 ] [ 2.78113e-10 2.65016e-10 1.1239e-11 ] [ 4.13075e-10 3.95144e-10 1.3393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2222100999999996 0.5893875999999998 1.4311838999999995 ] [ -0.6105294999999997 -0.06798489999999997 0.8028953999999998 ] [ -0.2855777999999999 -1.4547362999999995 -2.135936599999999 ] [ 2.675809999999999 -0.6295692999999998 1.0368162999999995 ] [ -0.5573906999999998 0.21702219999999992 0.10462599999999996 ] [ 1.1726000999999995 -0.9969787999999997 -0.5388916999999998 ] [ -2.1149606999999992 1.0789448999999995 -1.2649059999999996 ] [ 0.9422585999999996 1.2639145999999997 0.5642126999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.958196464058802e-09 9.44303041089338e-10 2.293009403536992e-09 ] [ -9.781760992677024e-10 -1.089238182448265e-10 1.286380249426083e-09 ] [ -4.57546078349125e-10 -2.330744508491613e-09 -3.422147712225403e-09 ] [ 4.287120259023538e-09 -1.008681221943736e-09 1.661162849610333e-09 ] [ -8.930383555489034e-10 3.477078978992746e-10 1.676293325088839e-10 ] [ 1.878712481246062e-09 -1.597336137953359e-09 -8.633996899965373e-10 ] [ -3.388540615368282e-09 1.728660308153466e-09 -2.026602837406403e-09 ] [ 1.509664712105552e-09 2.025014439491456e-09 9.039684045460514e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.240901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.806432477730723e-18 } }