{ "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" [ [ 2.3533386 -2.0705944 0.6946217 ] [ -2.5489941 -2.9618015 -1.0911284 ] [ -4.4352493 2.5734369 2.6445296 ] [ -0.242098 1.3537243 0.5962465 ] [ -0.8092115 1.0010205 -1.7309225 ] [ 4.6709476 -2.5863516 2.0493354 ] [ 1.0112665 2.6905658 -3.1626824 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.770464085746203e-09 -3.317457938839404e-09 1.112906648040351e-09 ] [ -4.083938753577137e-09 -4.745329118750371e-09 -1.748180412770911e-09 ] [ -7.106052735879565e-09 4.123100436284027e-09 4.237003498133576e-09 ] [ -3.878837555424384e-10 2.168905424468846e-09 9.552922025338273e-10 ] [ -1.296499746582499e-09 1.603811642041527e-09 -2.773243561916688e-09 ] [ 7.48368304170187e-09 -4.143792066688673e-09 3.283397266057817e-09 ] [ 1.620227543698244e-09 4.310761621484048e-09 -5.067175800295634e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.034529 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.20988539725396e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6159458 1.3098835 1.9709478 ] [ 2.4818882 0.3694328 4.0336861 ] [ 2.4190755 2.6695978 5.0146695 ] [ 1.5570056 3.4673567 2.8910831 ] [ 4.0291075 1.1937957 2.1997949 ] [ 4.5851877 1.5519301 4.5848448 ] [ 3.9662749 3.4939622 3.1807658 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6159458e-10 1.3098835e-10 1.9709478e-10 ] [ 2.4818882e-10 3.694328e-11 4.0336861e-10 ] [ 2.4190755e-10 2.6695978e-10 5.0146695e-10 ] [ 1.5570056e-10 3.4673567e-10 2.8910831e-10 ] [ 4.0291075e-10 1.1937957e-10 2.1997949e-10 ] [ 4.5851877e-10 1.5519301e-10 4.5848448e-10 ] [ 3.9662749e-10 3.4939622e-10 3.1807658e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-06 -2.25e-05 7e-06 ] [ 1e-07 -1.02e-05 -3.64e-05 ] [ 8e-06 1.49e-05 -2.47e-05 ] [ 4e-05 3.9e-06 2.12e-05 ] [ -3.71e-05 -3.04e-05 -1.07e-05 ] [ -7e-07 4.05e-05 6e-06 ] [ -1.94e-05 3.9e-06 3.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-14 -3.604897396800001e-14 1.12152363456e-14 ] [ 1.6021766208e-16 -1.634220153216e-14 -5.831922899712e-14 ] [ 1.28174129664e-14 2.387243164992e-14 -3.957376253376001e-14 ] [ 6.4087064832e-14 6.24848882112e-15 3.396614436096001e-14 ] [ -5.944075263168e-14 -4.870616927232e-14 -1.714328984256e-14 ] [ -1.12152363456e-15 6.488815314240001e-14 9.6130597248e-15 ] [ -3.108222644352e-14 6.24848882112e-15 6.024184094208e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.563325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615043180251216e-18 } }