{ "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" [ 5.21631 0 0 ] "si-unit" "m" "si-value" [ 5.21631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.340777 5.491 0 ] "si-unit" "m" "si-value" [ 3.40777e-11 5.491e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0764414 0.261433 5.31631 ] "si-unit" "m" "si-value" [ 7.644140000000001e-12 2.61433e-11 5.31631e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.102562 0.0713388 -0.561849 ] [ 1.48031 1.58239 0.779774 ] [ 0.554166 2.97803 2.26105 ] [ 1.29704 4.12978 3.93608 ] [ 3.06699 -0.246774 2.56051 ] [ 4.28292 1.50929 4.5131 ] [ 2.82838 2.54855 -0.698649 ] [ 4.65405 4.12903 1.02077 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.02562e-11 7.133879999999999e-12 -5.61849e-11 ] [ 1.48031e-10 1.58239e-10 7.79774e-11 ] [ 5.541660000000001e-11 2.97803e-10 2.26105e-10 ] [ 1.29704e-10 4.12978e-10 3.93608e-10 ] [ 3.06699e-10 -2.46774e-11 2.56051e-10 ] [ 4.28292e-10 1.50929e-10 4.5131e-10 ] [ 2.82838e-10 2.54855e-10 -6.98649e-11 ] [ 4.65405e-10 4.12903e-10 1.02077e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.7842033 -6.1451892 2.4302313 ] [ 0.1634535 -2.5042855 1.3078937 ] [ 0.436651 -3.4000631 2.143561 ] [ 2.4645136 -0.2011437 -1.7676982 ] [ -1.6056406 1.6991815 1.0873141 ] [ 1.0037129 2.0886008 -3.9441527 ] [ -4.9995279 7.8368453 1.4120477 ] [ -3.2473658 0.6260539 -2.6691968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.267315297214209e-09 -9.845678466632655e-09 3.893659771996391e-09 ] [ 2.618813762879328e-10 -4.012307679908438e-09 2.095476708631609e-09 ] [ 6.995920236489409e-10 -5.447501608064773e-09 3.434363319458669e-09 ] [ 3.948586071563643e-09 -3.22267733561209e-10 -2.832164728670243e-09 ] [ -2.572519830727285e-09 2.722388873795875e-09 1.742069230486193e-09 ] [ 1.608125342375368e-09 3.346307371944177e-09 -6.319229244805197e-09 ] [ -8.010126716417321e-09 1.255601032048636e-08 2.262349812394412e-09 ] [ -5.202853563945489e-09 1.003048921940661e-09 -4.276524709274174e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.4647520387759165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.551144713395909e-19 } }