{ "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" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2127215 -1.3105216 0.5594823 ] [ 0.1627712 0.1015952 0.7022171 ] [ -1.0666658 0.6289879 0.5420493 ] [ 0.1740019 0.6043626 -0.9155512 ] [ -0.3700164 1.2259529 0.1162303 ] [ 0.551059 -0.92626 -1.3286381 ] [ 0.3361285 -0.324117 0.3242103 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.40817416849431e-10 -2.099687085872294e-09 8.963894681965781e-10 ] [ 2.607882133281408e-10 1.627734555665568e-10 1.125075829615241e-09 ] [ -1.708987021046917e-09 1.007749716448729e-09 8.684587229360561e-10 ] [ 2.787817784516046e-10 9.682956361834882e-10 -1.466874739870661e-09 ] [ -5.928316302767976e-10 1.964193090764538e-09 1.862214708228102e-10 ] [ 8.828938537554058e-10 -1.48403212900884e-09 -2.128712918862155e-09 ] [ 5.38537228721469e-10 -5.192926840821779e-10 5.194421671621301e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.498109 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.28415912809851e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7964966 1.7799223 4.2626273 ] [ 1.6511424 3.3971804 1.1885245 ] [ 3.1218912 4.8845498 3.1441808 ] [ 1.3221143 3.3677673 3.4537406 ] [ 4.6323055 1.9596351 2.7453733 ] [ 3.9263899 3.6226959 1.3013189 ] [ 4.3897532 3.5020393 4.5144747 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7964966e-10 1.7799223e-10 4.2626273e-10 ] [ 1.6511424e-10 3.3971804e-10 1.1885245e-10 ] [ 3.1218912e-10 4.884549800000001e-10 3.1441808e-10 ] [ 1.3221143e-10 3.3677673e-10 3.4537406e-10 ] [ 4.6323055e-10 1.9596351e-10 2.7453733e-10 ] [ 3.926389900000001e-10 3.6226959e-10 1.3013189e-10 ] [ 4.389753200000001e-10 3.5020393e-10 4.5144747e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 -1.71e-05 5.01e-05 ] [ -4.74e-05 -1.91e-05 -5.04e-05 ] [ 1.21e-05 -1.81e-05 3.93e-05 ] [ -3.65e-05 3.41e-05 -9.5e-06 ] [ 1.76e-05 1.3e-05 -3.88e-05 ] [ 3.52e-05 3e-07 -1.57e-05 ] [ 1.73e-05 7e-06 2.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.5634826144e-15 -2.73972204414e-14 8.026904936339999e-14 ] [ -7.59431724516e-14 -3.06015737094e-14 -8.074970235359998e-14 ] [ 1.93863372714e-14 -2.899939707539999e-14 6.29655417162e-14 ] [ -5.847944714099999e-14 5.46342232194e-14 -1.5220678023e-14 ] [ 2.81983087584e-14 2.082829624199999e-14 -6.21644533992e-14 ] [ 5.63966175168e-14 4.806529901999999e-16 -2.515417315379999e-14 ] [ 2.77176557682e-14 1.1215236438e-14 3.989419818659999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.704295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637629094044303e-18 } }