{ "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" [ 5.46856 0 0 ] "si-unit" "m" "si-value" [ 5.46856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.109414 5.47364 0 ] "si-unit" "m" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0853482 0.188746 5.50226 ] "si-unit" "m" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.449694 -1.3730841 -0.772685 ] [ -0.0575265 -0.0702391 2.2581323 ] [ 1.184539 -0.9198681 -0.4790193 ] [ -0.9847618 0.3879542 -0.7310165 ] [ -0.4340049 -0.4089644 -1.8613007 ] [ 0.5787237 0.9493724 0.973485 ] [ -0.1931474 -1.4555127 -1.4871749 ] [ 1.3558718 2.8903418 2.0995791 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.322665853249996e-09 -2.199923261536919e-09 -1.23797785244229e-09 ] [ -9.216761413580099e-11 -1.125354448131894e-10 3.617926807540678e-09 ] [ 1.897840707861726e-09 -1.473791176181975e-09 -7.674735296950361e-10 ] [ -1.577762346015781e-09 6.215711543021628e-10 -1.171217555368461e-09 ] [ -6.953525098215066e-10 -6.552332058178296e-10 -2.982132490387844e-09 ] [ 9.272175896820257e-10 1.521062276244501e-09 1.55969492054949e-09 ] [ -3.094562511978516e-10 -2.331988438430252e-09 -2.382716875451286e-09 ] [ 2.172346116659521e-09 4.6308380962335e-09 3.363896575254749e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.20602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.800843925413668e-18 } }