{ "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" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3590725 0.0248724 0.2768238 ] [ -1.6310016 0.3543198 1.1411255 ] [ 1.1482847 -2.2104583 -0.0804998 ] [ -0.2323198 0.3880555 0.1517454 ] [ -0.5754875 0.4183965 0.4646669 ] [ -0.566377 1.2056938 1.0253083 ] [ 1.9120025 -0.0481028 -1.2822096 ] [ -0.4141737 -0.1327769 -1.6969606 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.752975646722079e-10 3.984997778318592e-11 4.435206204410151e-10 ] [ -2.613152632007393e-09 5.676828998465319e-10 1.828284597498711e-09 ] [ 1.839754900362342e-09 -3.541544609513313e-09 -1.289748975390758e-10 ] [ -3.722173521089318e-10 6.217334496728544e-10 2.431229321939443e-10 ] [ -9.220326180626401e-10 6.703450905245472e-10 7.444784436396114e-10 ] [ -9.074359879588416e-10 1.931734418203511e-09 1.642724987372193e-09 ] [ 3.063365704411152e-09 -7.706918155501823e-11 -2.05432624408532e-09 ] [ -6.63579419090233e-10 -2.127320449622995e-10 -2.718830599738741e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.455517 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.641906014057696e-18 } }