{ "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" [ [ 9.3629788 -11.5900576 6.5498219 ] [ -0.3074728 -1.6184325 -0.6225775 ] [ 0.4007598 -1.3935124 1.7751975 ] [ 2.3829407 0.364862 -2.7747937 ] [ -1.4916034 0.9624089 1.0976567 ] [ -6.2308913 8.8664655 -6.3393455 ] [ -1.8730625 2.7735592 3.1738682 ] [ -2.2436493 1.6347068 -2.8598276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.500114573440604e-08 -1.856931932044536e-08 1.049397151858384e-08 ] [ -4.926257316919142e-10 -2.593014713842896e-09 -9.97479115136112e-10 ] [ 6.420879821164838e-10 -2.232652988074898e-09 2.844179931802608e-09 ] [ 3.817891878292787e-09 5.845733662183297e-10 -4.445709593683128e-09 ] [ -2.389812094985791e-09 1.541949039229845e-09 1.758639902404479e-09 ] [ -9.982988367606119e-09 1.420564373322978e-08 -1.015675115127369e-08 ] [ -3.0009769467972e-09 4.443731706644751e-09 5.085097427540578e-09 ] [ -3.594722453734285e-09 2.619089016822782e-09 -4.581948920238574e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.185997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.035241556493894e-18 } }