{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.004205 -1.313416 -0.0762836 ] [ 0.0389708 0.3636738 0.3923571 ] [ 2.9570305 0.9863524 0.7625649 ] [ 0.560681 -0.4164453 -0.4973124 ] [ 0.8782844 0.5277356 -1.1463953 ] [ 0.1845891 1.4414657 -0.3068975 ] [ -3.6153508 -1.5893663 0.8719668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.608913773490464e-09 -2.104324408584653e-09 -1.222198004704589e-10 ] [ 6.243810465387264e-11 5.826696599574951e-10 6.286253726248877e-10 ] [ 4.737685134092534e-09 1.58031075514997e-09 1.22176365462269e-09 ] [ 8.983099899267648e-10 -6.672189235020423e-10 -7.96782300513938e-10 ] [ 1.407166732093356e-09 8.455256402838605e-10 -1.836727747855002e-09 ] [ 2.957443404745133e-10 2.309482644225107e-09 -4.91703999481968e-10 ] [ -5.792430527750577e-09 -2.546445527747399e-09 1.397044821073789e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.813029 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334614847183241e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4935612 2.2000469 2.2192308 ] [ 2.3733633 1.595731 4.4027831 ] [ 2.460921 4.3075708 2.3550315 ] [ 2.1884431 4.0072973 4.6422752 ] [ 3.6142114 1.2099695 2.3489395 ] [ 4.3092945 3.0177385 4.7726906 ] [ 4.5952736 3.3110821 2.4861703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4935612e-10 2.2000469e-10 2.2192308e-10 ] [ 2.3733633e-10 1.595731e-10 4.4027831e-10 ] [ 2.460921e-10 4.3075708e-10 2.3550315e-10 ] [ 2.1884431e-10 4.007297300000001e-10 4.6422752e-10 ] [ 3.6142114e-10 1.2099695e-10 2.3489395e-10 ] [ 4.3092945e-10 3.0177385e-10 4.7726906e-10 ] [ 4.5952736e-10 3.3110821e-10 2.4861703e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.54e-05 -2.06e-05 -3.91e-05 ] [ -1.57e-05 -1.39e-05 3.2e-05 ] [ -4e-06 3.37e-05 -1.19e-05 ] [ 3.2e-05 -2.6e-06 1e-06 ] [ 1.87e-05 -2e-07 1.71e-05 ] [ 9.4e-06 -8.1e-06 -3.06e-05 ] [ -1.51e-05 1.16e-05 3.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.069528616832e-14 -3.300483838848e-14 -6.264510587328001e-14 ] [ -2.515417294656e-14 -2.227025502912e-14 5.12696518656e-14 ] [ -6.4087064832e-15 5.399335212096e-14 -1.906590178752e-14 ] [ 5.12696518656e-14 -4.16565921408e-15 1.6021766208e-15 ] [ 2.996070280896e-14 -3.2043532416e-16 2.739722021568e-14 ] [ 1.506046023552e-14 -1.297763062848e-14 -4.902660459647999e-14 ] [ -2.419286697408e-14 1.858524880128e-14 5.04685635552e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }