{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2823356 -1.8359588 -0.4579637 ] [ -4.6974781 -6.9744564 -0.3835536 ] [ -7.459626 3.1736825 6.8916238 ] [ -2.1479465 2.6007721 -1.1884797 ] [ 1.5046449 -1.4511075 -5.2819565 ] [ 9.1164081 -2.3761774 4.5964499 ] [ 3.401662 6.8632455 -4.1761201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.523514975395405e-10 -2.941530266112023e-09 -7.33738733315065e-10 ] [ -7.526189588540003e-09 -1.117431098686893e-08 -6.145206107436749e-10 ] [ -1.195163837711182e-08 5.084799903342095e-09 1.104159853170885e-08 ] [ -3.441389665029188e-09 4.16689625464892e-09 -1.904154389635398e-09 ] [ 2.410706881385954e-09 -2.324930510767536e-09 -8.462627216382595e-09 ] [ 1.460609592349175e-08 -3.80705587715333e-09 7.364324568458498e-09 ] [ 5.45006332826377e-09 1.099613148291081e-08 -6.690881989872958e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.178944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.431934920523244e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6224554 1.4008106 2.0017128 ] [ 2.4650414 0.2150078 4.0352497 ] [ 2.0866584 2.3912405 5.2066569 ] [ 1.7514891 3.5631018 3.1039405 ] [ 4.1017972 1.0974963 2.1122171 ] [ 4.4684811 1.8798645 4.6438346 ] [ 4.1585624 3.5084373 2.7721804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6224554e-10 1.4008106e-10 2.0017128e-10 ] [ 2.4650414e-10 2.150078e-11 4.0352497e-10 ] [ 2.0866584e-10 2.3912405e-10 5.2066569e-10 ] [ 1.7514891e-10 3.5631018e-10 3.103940500000001e-10 ] [ 4.1017972e-10 1.0974963e-10 2.1122171e-10 ] [ 4.4684811e-10 1.8798645e-10 4.6438346e-10 ] [ 4.1585624e-10 3.5084373e-10 2.7721804e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-06 2.41e-05 4.98e-05 ] [ 2.84e-05 6.11e-05 4.9e-06 ] [ 1.1e-05 -5.53e-05 -1.39e-05 ] [ 6.31e-05 -5.27e-05 -3.67e-05 ] [ -2.14e-05 3.47e-05 2.31e-05 ] [ -6.87e-05 -3.8e-06 -2.44e-05 ] [ -6.4e-06 -8.1e-06 -2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.6130597248e-15 3.861245656128e-14 7.978839571583999e-14 ] [ 4.550181603071999e-14 9.789299153088e-14 7.850665441919999e-15 ] [ 1.76239428288e-14 -8.860036713024e-14 -2.227025502912e-14 ] [ 1.0109734477248e-13 -8.443470791616e-14 -5.879988198335999e-14 ] [ -3.428657968511999e-14 5.559552874176001e-14 3.701027994048e-14 ] [ -1.1006953384896e-13 -6.08827115904e-15 -3.909310954752e-14 ] [ -1.025393037312e-14 -1.297763062848e-14 -4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }