{ "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" [ [ 0.9066893 0.9379891 0.1369545 ] [ 0.7550462 2.78121 2.963246 ] [ 2.797941 0.0158314 0.1688765 ] [ 2.09203 0.1495358 1.796908 ] [ 2.487588 2.015226 1.460751 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.066893000000001e-11 9.379891e-11 1.369545e-11 ] [ 7.550462e-11 2.78121e-10 2.963246e-10 ] [ 2.797941e-10 1.58314e-12 1.688765e-11 ] [ 2.09203e-10 1.495358e-11 1.796908e-10 ] [ 2.487588e-10 2.015226e-10 1.460751e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -50.586146 15.4998603 -59.9408165 ] [ 1.6615014 0.0093322 -1.3058951 ] [ 132.276191 -38.1693983 -302.5177589 ] [ -111.8499249 -91.8621683 359.382936 ] [ 28.4983787 114.5223741 4.3815344 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.104794045757544e-08 2.483351379832607e-08 -9.603577482796288e-08 ] [ 2.662018698506469e-09 1.495183266062976e-11 -2.092274598437278e-09 ] [ 2.119298207086754e-07 -6.115411758626326e-08 -4.846868806863912e-07 ] [ -1.792033347130158e-07 -1.471794183862549e-07 5.757949379736626e-07 ] [ 4.56594360838447e-08 1.834850703415314e-07 7.019991978910955e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 77.615098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.243530954367009e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.6578565 0.7155786 -0.057787 ] [ 0.9184672 3.447502 3.1712995 ] [ 3.2766079 0.1464925 -0.1748829 ] [ 1.8951826 -0.511665 2.0281937 ] [ 2.2911803 2.1018841 1.5599128 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.578565e-11 7.155786e-11 -5.7787e-12 ] [ 9.184672e-11 3.447502e-10 3.1712995e-10 ] [ 3.2766079e-10 1.464925e-11 -1.748829e-11 ] [ 1.8951826e-10 -5.11665e-11 2.0281937e-10 ] [ 2.2911803e-10 2.1018841e-10 1.5599128e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.22e-05 -9.8e-06 9.16e-05 ] [ 1.53e-05 1.41e-05 -5.53e-05 ] [ -4.9e-05 2.65e-05 4.26e-05 ] [ 4.1e-06 8.3e-06 -0.0001076 ] [ -3.26e-05 -3.91e-05 2.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.965538581376e-14 -1.570133088384e-14 1.4675937846528e-13 ] [ 2.451330229824e-14 2.259069035328e-14 -8.860036713024e-14 ] [ -7.85066544192e-14 4.24576804512e-14 6.825272404608e-14 ] [ 6.568924145279999e-15 1.329806595264e-14 -1.7239420439808e-13 ] [ -5.223095783807999e-14 -6.264510587328001e-14 4.598246901696e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.848306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.539178535248437e-18 } }