{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7845390999999998 2.9072110999999996 -1.1400925999999998 ] [ 0.4248943999999999 -1.1322857999999998 -0.6606139999999999 ] [ -1.4688904999999999 3.158679999999999 -0.6180630999999999 ] [ -0.05135219999999999 -1.8711191999999996 0.5505415999999999 ] [ -0.7132923999999999 0.4299100999999999 -0.17852519999999997 ] [ 1.5988531999999995 -1.9000414999999995 0.7658088999999998 ] [ -2.5120313999999997 0.7751158999999997 -1.3553046999999998 ] [ 1.9372795999999997 -2.3674705999999994 2.6362489999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.256970214479389e-09 4.657865694525436e-09 -1.826629724316308e-09 ] [ 6.807558795974494e-10 -1.814121851769997e-09 -1.058420314893276e-09 ] [ -2.353422037004576e-09 5.060763290283117e-09 -9.902462571576052e-10 ] [ -8.227529494449476e-11 -2.997863461668772e-09 8.820648875649742e-10 ] [ -1.142820416489781e-09 6.887919169406032e-10 -2.860289040201767e-10 ] [ 2.561645238236128e-09 -3.04420209493031e-09 1.226961125689242e-09 ] [ -4.024718012954307e-09 1.24187258362188e-09 -2.171437522290379e-09 ] [ 3.103864108644866e-09 -3.793106077001959e-09 4.223736549205864e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.137299 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.789833607367156e-18 } }