{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.3853735 -6.0838781 -3.4805329 ] [ -2.6344525 -0.5050563 10.2319619 ] [ 1.5093997 -1.2656051 3.6110502 ] [ -20.3484411 -24.1607835 13.024469 ] [ 11.8150362 15.7574717 -17.8932944 ] [ 4.6244869 8.3622434 2.9866555 ] [ 12.1878359 10.0166616 -3.8323414 ] [ -1.7684917 -2.1210538 -4.6479679 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.628319515975869e-09 -9.747447255617124e-09 -5.576428440305224e-09 ] [ -4.220858204108112e-09 -8.091893960477511e-10 1.639341014109635e-08 ] [ 2.418324910782534e-09 -2.027722902385246e-09 5.785540206975164e-09 ] [ -3.260179660014584e-08 -3.87098424639104e-08 2.086749973013435e-08 ] [ 1.892977477354567e-08 2.524625276065763e-08 -2.866821795677156e-08 ] [ 7.409244794375868e-09 1.33977908729191e-08 4.785149616483734e-09 ] [ 1.952706573712693e-08 1.604846103398512e-08 -6.140087794003941e-09 ] [ -2.833436055818848e-09 -3.398302809818999e-09 -7.446865503608873e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.055079 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.052960208129704e-18 } }