{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.33332880000000004 0.041484200000000006 -0.5427368000000001 ] [ -1.5364787000000004 -0.6736011000000001 0.8325496000000002 ] [ 0.5013831000000001 -1.3031968000000003 -0.14769750000000004 ] [ -1.1703318000000003 -0.8593724000000003 1.8163648000000003 ] [ 0.6165499000000001 1.0812275000000002 -1.2538239000000002 ] [ 0.09503050000000003 1.0707401000000003 1.6266647000000005 ] [ 1.4312902000000003 0.4857206000000001 -1.0627836000000002 ] [ -0.27077200000000007 0.15699800000000003 -1.2685374000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.340516103993191e-10 6.646501537259137e-11 -8.695602122078057e-10 ] [ -2.461710251497178e-09 -1.079227934165163e-09 1.333891504776392e-09 ] [ 8.033042808842286e-10 -2.087951445261374e-09 -2.36637481450608e-10 ] [ -1.875078248538782e-09 -1.376866367840786e-09 2.910137217404069e-09 ] [ 9.878218353365781e-10 1.732317422266032e-09 -2.008847339180278e-09 ] [ 1.522556453629344e-10 1.715514755173055e-09 2.606204152220647e-09 ] [ 2.293179696020157e-09 7.782101895609487e-10 -1.702767036889659e-09 ] [ -4.338245679672577e-10 2.515385251123585e-10 -2.032420964890418e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.28677 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.813781453834682e-18 } }