{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3954322 1.0552824 0.3268712 ] [ -8.1639727 -23.6190644 0.2756978 ] [ -22.1078517 -4.4954087 -4.3650005 ] [ 7.1714912 22.9381428 11.5826863 ] [ 3.2448594 0.3228105 -0.1898596 ] [ 12.9905707 11.0448103 -0.5908266 ] [ 7.2603353 -7.2465728 -7.0395686 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.335522311712147e-10 1.690748803551442e-09 5.237053989675407e-10 ] [ -1.308012630055389e-08 -3.784191309862122e-08 4.417165732052052e-10 ] [ -3.542068342167717e-08 -7.202438779420314e-09 -6.993501808498317e-09 ] [ 1.148999563157662e-08 3.675095642151533e-08 1.855750934881192e-08 ] [ 5.198837911295259e-09 5.17199440309857e-10 -3.041886148605864e-10 ] [ 2.081318883786502e-08 1.769573698962253e-08 -9.466085732656641e-10 ] [ 1.163233957266538e-08 -1.161028961673995e-08 -1.127863232436009e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5334899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.527433475825499e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1329117 1.2755815 2.3889967 ] [ 1.3812911 2.6816487 3.4118378 ] [ 1.4119204 4.0421698 1.3528368 ] [ 3.1861607 4.1274137 4.2741835 ] [ 4.9247948 3.0203318 2.7994108 ] [ 3.5918784 5.1630848 1.9968616 ] [ 3.550634 2.9543342 0.5367783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.132911700000001e-10 1.2755815e-10 2.3889967e-10 ] [ 1.3812911e-10 2.6816487e-10 3.4118378e-10 ] [ 1.4119204e-10 4.0421698e-10 1.3528368e-10 ] [ 3.1861607e-10 4.1274137e-10 4.274183500000001e-10 ] [ 4.9247948e-10 3.0203318e-10 2.7994108e-10 ] [ 3.5918784e-10 5.1630848e-10 1.9968616e-10 ] [ 3.550634e-10 2.9543342e-10 5.367783e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.9e-05 1.2e-06 3.1e-06 ] [ -5.3e-05 5.25e-05 -5e-07 ] [ -1.3e-06 -5.4e-06 6.7e-06 ] [ 2.8e-06 -4.5e-05 -2.49e-05 ] [ 4.5e-06 -1.77e-05 -2.63e-05 ] [ -1.28e-05 1.7e-06 -1.28e-05 ] [ 7e-07 1.26e-05 5.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.452842140599998e-14 1.9226119608e-15 4.9667475654e-15 ] [ -8.491536160199999e-14 8.4114273285e-14 -8.010883169999999e-16 ] [ -2.0828296242e-15 -8.6517538236e-15 1.07345834478e-14 ] [ 4.486094575199999e-15 -7.209794852999999e-14 -3.989419818659999e-14 ] [ 7.209794853e-15 -2.83585264218e-14 -4.21372454742e-14 ] [ -2.05078609152e-14 2.7237002778e-15 -2.05078609152e-14 ] [ 1.1215236438e-15 2.01874255884e-14 8.779927954319999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }