{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.025918099999999996 -0.23400499999999996 -0.46277289999999993 ] [ 0.6355808999999999 1.1555026999999998 -2.0526339999999994 ] [ -2.3806112999999995 0.8480692999999999 -2.0537690999999993 ] [ -0.20131979999999997 2.4376265999999998 -0.03774029999999999 ] [ 1.7773133999999997 0.7435745999999999 0.9167443999999999 ] [ -2.0373519999999994 -0.20350429999999997 1.0121139999999997 ] [ 0.5468957999999999 -2.2394948999999995 2.0155443999999996 ] [ 1.6335748999999997 -2.5077690999999995 0.6625134999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.152537387555648e-11 -3.749173401503039e-10 -7.414439211198162e-10 ] [ 1.018312858607023e-09 1.851319411211276e-09 -3.288682205859186e-09 ] [ -3.814159768072295e-09 1.358756805278221e-09 -3.290500836541456e-09 ] [ -3.225498768641318e-10 3.905508348760193e-09 -6.046662632197822e-11 ] [ 2.847569977314558e-09 1.191337839940711e-09 1.468786444929323e-09 ] [ -3.264197742740121e-09 -3.260498316922694e-10 1.621585388384371e-09 ] [ 8.762236647737125e-10 -3.588066371180833e-09 3.229258115864363e-09 ] [ 2.617275513105698e-09 -4.017889022384656e-09 1.061463640664381e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -216.20228 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.463942383796555e-17 } }