{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42356e-10 0.0 0.0 ] "source-value" [ 5.42356 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.41122e-12 5.36968e-10 0.0 ] "source-value" [ 0.0141122 5.36968 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.25956e-11 8.99535e-12 5.380670000000001e-10 ] "source-value" [ -0.125956 0.0899535 5.38067 ] } "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" [ [ 3.17268638090755e-09 -1.000031863146033e-09 9.336038580533818e-10 ] [ -1.249748713440542e-09 4.645584011045847e-09 3.443880248586221e-10 ] [ 6.202982198559418e-10 -1.286699232193066e-09 -2.317652303032228e-09 ] [ -1.026573521046205e-09 -1.650771919450161e-09 -1.801218386972887e-09 ] [ 1.383837598535549e-09 -1.467181224172944e-09 -9.598782728932052e-10 ] [ -3.019416557743649e-09 4.471393125785201e-09 -1.379190004593932e-09 ] [ 1.281225716203427e-09 -2.158070224417699e-09 5.287870182410323e-10 ] [ -1.162308802836747e-09 -1.554222833668808e-09 4.651159745903893e-09 ] ] "source-value" [ [ 1.9802351 -0.6241708 0.5827097 ] [ -0.7800318 2.8995455 0.2149501 ] [ 0.3871597 -0.8030945 -1.4465648 ] [ -0.6407368 -1.0303308 -1.1242321 ] [ 0.8637235 -0.9157425 -0.5991089 ] [ -1.8845716 2.7908241 -0.8608227 ] [ 0.7996782 -1.3469615 0.3300429 ] [ -0.7254561 -0.9700696 2.9030256 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.32742e-12 7.97855e-12 -4.80858e-12 ] [ 1.38077e-10 1.28242e-10 1.3281e-10 ] [ 1.39699e-12 2.873810000000001e-10 2.72647e-10 ] [ 1.34708e-10 4.2887e-10 4.09361e-10 ] [ 2.73598e-10 7.66444e-12 2.67003e-10 ] [ 4.1072e-10 1.37855e-10 3.98819e-10 ] [ 2.71459e-10 2.70679e-10 -9.21964e-12 ] [ 4.08895e-10 4.12737e-10 1.11939e-10 ] ] "source-value" [ [ -0.0132742 0.0797855 -0.0480858 ] [ 1.38077 1.28242 1.3281 ] [ 0.0139699 2.87381 2.72647 ] [ 1.34708 4.2887 4.09361 ] [ 2.73598 0.0766444 2.67003 ] [ 4.1072 1.37855 3.98819 ] [ 2.71459 2.70679 -0.0921964 ] [ 4.08895 4.12737 1.11939 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.384969776078583e-18 "source-value" -33.610338 } }