{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.4238e-10 0.0 0.0 ] "source-value" [ 5.4238 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] "source-value" [ -0.0012341 5.50722 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] "source-value" [ -0.00966142 -0.113973 5.43239 ] } "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" [ [ -3.304633476295872e-10 -4.301756107133857e-10 -2.312608971465273e-10 ] [ -1.279671284445926e-10 -1.841309492337504e-10 -4.443310013758157e-10 ] [ 6.055545099383539e-10 7.607011227958598e-10 1.149242732058799e-09 ] [ 3.934195962026266e-10 -8.334266433142271e-11 -1.561680004532659e-09 ] [ -6.068381738469388e-10 -2.26795727034955e-09 2.309055343720339e-10 ] [ 1.219390510611961e-09 -8.24391969349536e-11 4.026995634079622e-10 ] [ -5.622401456480122e-10 4.091781247918291e-10 -5.141727641944052e-10 ] [ -5.908559814014726e-10 1.878166283757711e-09 9.685969976282747e-10 ] ] "source-value" [ [ -0.206259 -0.2684945 -0.1443417 ] [ -0.0798708 -0.1149255 -0.2773296 ] [ 0.3779574 0.4747923 0.7173009 ] [ 0.2455532 -0.0520184 -0.974724 ] [ -0.3787586 -1.4155476 0.1441199 ] [ 0.7610837 -0.0514545 0.2513453 ] [ -0.3509227 0.2553889 -0.3209214 ] [ -0.3687833 1.1722592 0.6045507 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.032773223589222e-16 "source-value" 644.60635 } }