{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0741630999999998 0.6047974999999999 1.7479301999999999 ] [ 0.12066709999999999 -1.3872832999999998 -2.3561511999999993 ] [ -0.22020629999999997 0.7411962999999999 2.5194965999999996 ] [ -2.0835659999999994 -0.7716090999999999 -0.6063700999999999 ] [ 0.45650319999999994 -2.6888063999999994 -2.3929952999999995 ] [ 0.6651765999999999 1.2862969999999998 1.3761336999999998 ] [ 0.9956249999999999 -0.5318614999999999 0.43707789999999996 ] [ -1.0083627999999998 2.7472694999999994 -0.7251217999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.720999005746052e-09 9.689924148182877e-10 2.800492901230268e-09 ] [ 1.933300065197357e-10 -2.222672869686272e-09 -3.774970367709864e-09 ] [ -3.52809385612871e-10 1.187527383283463e-09 4.036678548705089e-09 ] [ -3.338240733093772e-09 -1.236254060416529e-09 -9.71511997772158e-10 ] [ 7.313987543603864e-10 -4.307942751937412e-09 -3.834001123344282e-09 ] [ 1.065730397223233e-09 2.060874980805178e-09 2.204809241235001e-09 ] [ 1.595167098084e-09 -8.521360608036189e-10 7.002759928483603e-10 ] [ -1.615575303444426e-09 4.401610963936904e-09 -1.161773195192413e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -217.95868 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.492083013964285e-17 } }