{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.3118992 0.6789671 -1.4555483999999999 ] [ -0.783885 -1.2565361 0.8881618999999998 ] [ 0.8823678 0.7872866 1.9423238999999999 ] [ -3.3136739 -2.951592 3.2435618999999996 ] [ 1.4037133 3.6884885 -0.8572121999999999 ] [ -1.9126857 0.3621431 -1.8350151999999997 ] [ -0.3825055 -0.5566416 -3.4476221999999996 ] [ -1.2052303 -0.7521157 1.5213502999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.510600710286224e-09 1.087825213912376e-09 -2.332045616922846e-09 ] [ -1.255922220395808e-09 -2.013192762611211e-09 1.422992231665307e-09 ] [ 1.41370906010673e-09 1.261372184389121e-09 3.111945942601077e-09 ] [ -5.309090851535157e-09 -4.728971696540314e-09 5.196759044297626e-09 ] [ 2.248996631566017e-09 5.909610040789662e-09 -1.373405345904534e-09 ] [ -3.064460311478483e-09 5.802172082040365e-10 -2.940018452252636e-09 ] [ -6.128413694274144e-10 -8.918381576847052e-10 -5.523699686191061e-09 ] [ -1.93099180933977e-09 -1.205022190676627e-09 2.437471882707066e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.769863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.250310836541896e-18 } }