{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.2835024 -2.8056324 -3.7522515 ] [ 0.1981122 0.0225978 -0.7882652 ] [ 14.1191884 -28.6349494 16.5220577 ] [ 9.4127149 18.5589042 -36.9300675 ] [ -14.446513 12.8590799 24.9485265 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.487381050442069e-08 -4.495118637838994e-09 -6.011769628661731e-09 ] [ 3.174107351352538e-10 3.620566684151424e-11 -1.262940074430236e-09 ] [ 2.262143355915056e-08 -4.587824646647099e-08 2.647125457444862e-08 ] [ 1.508083175103581e-08 2.973464241690693e-08 -5.916849075306591e-08 ] [ -2.314586538068327e-08 2.06025171807792e-08 3.997194588170925e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.6017089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.372750415307286e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0064895 0.3730912 0.3807503 ] [ 0.0428191 0.0768758 2.7914452 ] [ 2.946991 0.4469488 1.4985804 ] [ 2.5883576 2.3229481 0.4174512 ] [ 1.6163087 2.958548 2.2606251 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0064895e-10 3.730912e-11 3.807503e-11 ] [ 4.28191e-12 7.68758e-12 2.7914452e-10 ] [ 2.946991e-10 4.469488e-11 1.4985804e-10 ] [ 2.5883576e-10 2.3229481e-10 4.174512e-11 ] [ 1.6163087e-10 2.958548e-10 2.2606251e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2169108 0.1645597 -0.1553191 ] [ 0.6245726 0.0877589 -0.907762 ] [ 1.2409429 -1.8596264 2.1640431 ] [ 0.2206055 0.8255758 -3.225987 ] [ -0.8692102 0.781732 2.125025 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.949706033359025e-09 2.636537040658618e-10 -2.488486307836972e-10 ] [ 1.00067561771227e-09 1.406052578471251e-10 -1.454395053650649e-09 ] [ 1.988209702127753e-09 -2.979449941502469e-09 3.467179261223557e-09 ] [ 3.534489745198944e-10 1.322718245458257e-09 -5.16860095040473e-09 ] [ -1.392628261000892e-09 1.252472734131225e-09 3.40466537361552e-09 ] ] } "relaxed-potential-energy" { "source-value" -9.8992622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.586036646000918e-18 } }