{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.37815e-10 0.0 0.0 ] "source-value" [ 5.37815 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] "source-value" [ 0.0312137 5.76118 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] "source-value" [ 0.42726 0.0546964 4.8758 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.519414524769792e-09 1.089517096402174e-08 -1.066444214973098e-08 ] [ 6.555862881031914e-09 -1.332239180027361e-09 1.223136239333729e-09 ] [ 1.523018937932704e-08 7.337030528417197e-09 -6.917246795483982e-09 ] [ -4.336438104008989e-09 -3.458797794667166e-09 -4.200871851851943e-09 ] [ 5.25788224259881e-10 -7.019885754600997e-09 -1.840536394052669e-08 ] [ 2.79918280140744e-09 -9.758207313584756e-09 1.250456683245741e-08 ] [ -6.957168070126795e-09 3.067032285607853e-10 1.051174862949758e-08 ] [ -9.298002587120701e-09 3.030225321880553e-09 1.594847319652255e-08 ] ] "source-value" [ [ -2.8207967 6.8002309 -6.6562213 ] [ 4.0918478 -0.8315183 0.7634216 ] [ 9.5059366 4.5794143 -4.3174059 ] [ -2.7065918 -2.1588118 -2.621978 ] [ 0.3281712 -4.3814681 -11.4877247 ] [ 1.7471125 -6.090594 7.8047368 ] [ -4.3423228 0.1914291 6.5609175 ] [ -5.8033568 1.8913179 9.9542541 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.896857235878522e-18 "source-value" -24.32227 } }