{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7315436 0.3767612 1.166558 ] [ 0.6069044 0.5624824 2.9402 ] [ 2.192795 0.1872249 0.2922769 ] [ 2.54678 0.883358 1.224646 ] [ 2.591807 0.3326772 2.854818 ] [ 2.523994 2.504234 0.7585561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.315436e-11 3.767612e-11 1.166558e-10 ] [ 6.069044000000001e-11 5.624824e-11 2.9402e-10 ] [ 2.192795e-10 1.872249e-11 2.922769e-11 ] [ 2.54678e-10 8.83358e-11 1.224646e-10 ] [ 2.591807e-10 3.326772e-11 2.854818e-10 ] [ 2.523994e-10 2.504234e-10 7.585561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -69.8044503 -14.759464 -24.8129217 ] [ -19.1508554 4.2792406 32.8520911 ] [ -36.757704 -108.6103505 -153.36345 ] [ 106.685518 90.3852495 116.0014377 ] [ 19.6350209 -14.5168043 41.7513892 ] [ -0.6075292 43.2221287 -12.4285463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.118390582984556e-07 -2.364726815633925e-08 -3.975468304148099e-08 ] [ -3.068305279020144e-08 6.856099244098164e-09 5.263485230481176e-08 ] [ -5.889233398308664e-08 -1.740129643479936e-07 -2.457153340752298e-07 ] [ 1.709290427175376e-07 1.448131336140749e-07 1.858547914621277e-07 ] [ 3.145877143489938e-08 -2.325848445818891e-08 6.689309966216162e-08 ] [ -9.733690806933274e-10 6.92494841043487e-08 -1.991272631239035e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 106.42469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.705111501938876e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.6564393 1.0272253 0.7849437 ] [ 0.3914115 0.3719688 3.1326601 ] [ 2.0341248 -0.8833258 -0.2162841 ] [ 3.2502816 0.9076346 1.1490254 ] [ 2.7998609 0.2609007 3.4707049 ] [ 2.0617059 3.1623342 0.9160049 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.564393e-11 1.0272253e-10 7.849437000000001e-11 ] [ 3.914115e-11 3.719688e-11 3.1326601e-10 ] [ 2.0341248e-10 -8.833258000000001e-11 -2.162841e-11 ] [ 3.2502816e-10 9.076346e-11 1.1490254e-10 ] [ 2.7998609e-10 2.609007e-11 3.4707049e-10 ] [ 2.0617059e-10 3.1623342e-10 9.160049000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.54e-05 -3.65e-05 4.61e-05 ] [ 1.32e-05 9.1e-06 -6.84e-05 ] [ -1.7e-05 1.64e-05 4e-07 ] [ -3.4e-06 1.41e-05 -4.4e-06 ] [ 3.4e-06 1.36e-05 1.94e-05 ] [ 1.92e-05 -1.68e-05 6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.467351996032e-14 -5.84794466592e-14 7.386034221888001e-14 ] [ 2.114873139456e-14 1.457980724928e-14 -1.0958888086272e-13 ] [ -2.72370025536e-14 2.627569658112e-14 6.408706483200001e-16 ] [ -5.44740051072e-15 2.259069035328e-14 -7.04957713152e-15 ] [ 5.44740051072e-15 2.178960204288e-14 3.108222644352e-14 ] [ 3.076179111936e-14 -2.691656722944e-14 1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.838284 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.537572833839071e-18 } }