{ "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" [ [ -1.0456357999999997 -0.14594379999999998 0.47268059999999995 ] [ 1.4977473999999997 1.1542431999999998 -2.6696307999999997 ] [ -3.2445982999999994 0.4554328999999999 -1.5112581999999999 ] [ 0.7418185999999999 2.1312364999999995 0.20211819999999997 ] [ -0.012694099999999998 0.24122639999999998 2.1755723999999996 ] [ -0.5432392999999999 -0.34698159999999995 -0.41422709999999996 ] [ 1.2675505999999999 -2.3273387999999997 2.3128172999999994 ] [ 1.3390507999999999 -1.1618747999999999 -0.5680723999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.675293232631504e-09 -2.33827744310711e-10 7.573178064257165e-10 ] [ 2.399655868143985e-09 1.849301469757378e-09 -4.2772200539276e-09 ] [ -5.198419540147425e-09 7.296839447231442e-10 -2.42130255603229e-09 ] [ 1.188524417794587e-09 3.414617293695618e-09 3.238290546781785e-10 ] [ -2.033819024209728e-11 3.86487298399749e-10 3.485651236137746e-09 ] [ -8.703653059597572e-10 -5.559258073677772e-10 -6.636649753217837e-10 ] [ 2.030839937001012e-09 -3.728807814040726e-09 3.705541806241779e-09 ] [ 2.145395885823536e-09 -1.861528640856676e-09 -9.101523182017457e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.719036 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.722820439671355e-18 } }