{ "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" [ 5.3952 0 0 ] "si-unit" "m" "si-value" [ 5.3952e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00461172 5.6034 0 ] "si-unit" "m" "si-value" [ 4.61172e-13 5.6034e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.071329 0.0469434 5.27588 ] "si-unit" "m" "si-value" [ 7.132900000000001e-12 4.694340000000001e-12 5.27588e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0148313 -0.0405976 0.0741579 ] [ 1.40662 1.33729 1.44565 ] [ 0.021393 2.68696 2.73819 ] [ 1.3197 4.02815 4.06112 ] [ 2.69728 0.0386556 2.72588 ] [ 4.00631 1.34667 3.9586 ] [ 2.7243 2.85873 -0.0805011 ] [ 4.14392 4.06243 1.15826 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.48313e-12 -4.05976e-12 7.41579e-12 ] [ 1.40662e-10 1.33729e-10 1.44565e-10 ] [ 2.1393e-12 2.68696e-10 2.73819e-10 ] [ 1.3197e-10 4.02815e-10 4.06112e-10 ] [ 2.69728e-10 3.86556e-12 2.72588e-10 ] [ 4.00631e-10 1.34667e-10 3.9586e-10 ] [ 2.7243e-10 2.85873e-10 -8.050110000000001e-12 ] [ 4.14392e-10 4.06243e-10 1.15826e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8413010000000002 0.7378814000000001 -1.1209591000000003 ] [ -0.4212549000000001 1.2344986000000002 -2.0308796000000005 ] [ -0.5372938000000002 0.3898568000000001 -1.5533987000000005 ] [ -0.30472750000000004 3.3664248000000008 -1.3751240000000002 ] [ 0.30426850000000005 -3.877929300000001 -0.9650927000000002 ] [ 1.2816110000000003 0.3754223000000001 1.4209185000000002 ] [ -0.33404200000000006 -3.328620400000001 1.7792029000000005 ] [ -0.8298623000000003 1.1024658000000003 3.845332800000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.347912793255661e-09 1.182216328003173e-09 -1.79597446289301e-09 ] [ -6.749247521774422e-10 1.977884795330331e-09 -3.253827814779657e-09 ] [ -8.608395648607913e-10 6.246194504199016e-10 -2.488819079921114e-09 ] [ -4.88227276214832e-10 5.393607110241316e-09 -2.20319152350098e-09 ] [ 4.874918771458849e-10 -6.21312766157531e-09 -1.546248960844749e-09 ] [ 2.053367181160109e-09 6.01492831986964e-10 2.276562400762205e-09 ] [ -5.351942827652737e-10 -5.333037784397946e-09 2.850597290039561e-09 ] [ -1.329585975543316e-09 1.766344929991569e-09 6.160902311355404e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.062729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.297233142364617e-18 } }