{ "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" [ [ 0.0140975 0.5833675 2.011711 ] [ 0.3860738 2.863563 1.325373 ] [ 1.128451 1.622429 0.5509609 ] [ 2.086312 0.6042059 2.517228 ] [ 2.318087 2.883056 0.8671461 ] [ 2.902063 1.818717 2.74846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.40975e-12 5.833675e-11 2.011711e-10 ] [ 3.860738e-11 2.863563e-10 1.325373e-10 ] [ 1.128451e-10 1.622429e-10 5.509609e-11 ] [ 2.086312e-10 6.042059e-11 2.517228e-10 ] [ 2.318087e-10 2.883056e-10 8.671461e-11 ] [ 2.902063e-10 1.818717e-10 2.74846e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.8733209 -5.3183956 5.7576434 ] [ -77.3299224 58.1759195 38.2177349 ] [ 10.0722152 -72.1085801 -42.2449876 ] [ -64.613608 -127.5248482 -21.9588254 ] [ 70.7611887 21.8488451 0.1788816 ] [ 74.9834474 124.9270593 20.0495531 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.222751058196384e-08 -8.521009160688409e-09 9.224761722384316e-09 ] [ -1.238961947783132e-07 9.320809888436495e-08 6.123156186118632e-08 ] [ 1.613746784605963e-08 -1.155306821471374e-07 -6.768393203633973e-08 ] [ -1.035224129760355e-07 -2.043173320404369e-07 -3.518191696596569e-08 ] [ 1.133719231292048e-07 3.500570909910538e-08 2.865999197725344e-10 ] [ 1.201367273610481e-07 2.001552153647924e-07 3.212292549896226e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 62.687681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.004367377378457e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.402682 -0.5871974 1.6799993 ] [ 0.4809434 4.6343744 1.5401721 ] [ 0.6587865 1.1374884 -0.162179 ] [ 2.0318657 0.0513905 3.5090662 ] [ 2.0306331 2.9951388 0.7309845 ] [ 3.2301737 2.1441437 2.722836 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.02682e-11 -5.871974e-11 1.6799993e-10 ] [ 4.809434e-11 4.6343744e-10 1.5401721e-10 ] [ 6.587865e-11 1.1374884e-10 -1.62179e-11 ] [ 2.0318657e-10 5.13905e-12 3.5090662e-10 ] [ 2.0306331e-10 2.9951388e-10 7.309845000000001e-11 ] [ 3.2301737e-10 2.1441437e-10 2.722836e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.87e-05 -1.04e-05 1.95e-05 ] [ 4.76e-05 -4.43e-05 2.43e-05 ] [ 1.86e-05 -7.4e-05 -0.0001066 ] [ -2.4e-06 2.8e-06 3.39e-05 ] [ -9.49e-05 0.0001278 -2.25e-05 ] [ 8.98e-05 -2e-06 5.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.404776841579999e-14 -1.66626369936e-14 3.1242444363e-14 ] [ 7.62636077784e-14 -7.09764248862e-14 3.893289220619999e-14 ] [ 2.98004853924e-14 -1.18561070916e-13 -1.707920291844e-13 ] [ -3.845223921599999e-15 4.486094575199999e-15 5.431378789259999e-14 ] [ -1.520465625666e-13 2.047581738252e-13 -3.6048974265e-14 ] [ 1.438754617332e-13 -3.204353268e-15 8.21916613242e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.95465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.71643440676481e-18 } }